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N-[(2S)-2-[(3-chloro-4-isopropoxyphenyl)formamido]-3-(4-{8-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-2-yl}phenyl)propyl]-2-(dimethylamino)acetamide

N-[(2S)-2-[(3-chloro-4-isopropoxyphenyl)formamido]-3-(4-{8-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-2-yl}phenyl)propyl]-2-(dimethylamino)acetamide

CAS: 1088965-37-0

Formula: C32H38ClN5O4

SMILES: CC(C)OC1=C(Cl)C=C(C=C1)C(=O)N[C@H](CNC(=O)CN(C)C)CC1=CC=C(C=C1)C1=CN2C=CC=C([C@H](C)O)C2=N1

IUPAC: N-[(2S)-2-{[3-chloro-4-(propan-2-yloxy)phenyl]formamido}-3-(4-{8-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-2-yl}phenyl)propyl]-2-(dimethylamino)acetamide

InChI: InChI=1S/C32H38ClN5O4/c1-20(2)42-29-13-12-24(16-27(29)33)32(41)35-25(17-34-30(40)19-37(4)5)15-22-8-10-23(11-9-22)28-18-38-14-6-7-26(21(3)39)31(38)36-28/h6-14,16,18,20-21,25,39H,15,17,19H2,1-5H3,(H,34,40)(H,35,41)/t21-,25-/m0/s1

Composition: C (64.91%), H (6.47%), Cl (5.99%), N (11.83%), O (10.81%)

Molar Mass: 592.14

Atom Count: 80

Heavy Atom Count: 42

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 2
Exact Mass 591.2612324
Formal Charge 0
FSP3 0.34
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey WHMXDBPHBVLYRC-OFVILXPXSA-N
Lipinski's Rule of Five
Molar Refractivity 166.21
Topological Polar Surface Area 108.2
Polarizability 64.66
Ring Count 4
Rotatable Bond Count 12

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Purity LeadTime CAS PacketSize UnitPrice
99.61% <7 Days 1088965-37-0 $123.42-$1,234.20$123.42$201.96$706.86$1,234.20
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