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1-(2-{4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl}ethyl)piperidin-4-ol

1-(2-{4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl}ethyl)piperidin-4-ol

CAS: 234772-64-6

Formula: C26H29N5O2

SMILES: COC1=CC(=CC=C1)C1=CN(C2=NC=NC(N)=C12)C1=CC=C(CCN2CCC(O)CC2)C=C1

IUPAC: 1-(2-{4-[4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]phenyl}ethyl)piperidin-4-ol

InChI: InChI=1S/C26H29N5O2/c1-33-22-4-2-3-19(15-22)23-16-31(26-24(23)25(27)28-17-29-26)20-7-5-18(6-8-20)9-12-30-13-10-21(32)11-14-30/h2-8,15-17,21,32H,9-14H2,1H3,(H2,27,28,29)

Composition: C (70.41%), H (6.59%), N (15.79%), O (7.21%)

Molar Mass: 443.551

Atom Count: 62

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 443.232125194
Formal Charge 0
FSP3 0.31
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey WUPXZZWTHIZICK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 142.39
Topological Polar Surface Area 89.43
Polarizability 52.24
Ring Count 5
Rotatable Bond Count 6

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