4-(6-{[4-(cyclopropylmethyl)piperazin-1-yl]methyl}-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl)-5-fluoro-1H-indole

4-(6-{[4-(cyclopropylmethyl)piperazin-1-yl]methyl}-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl)-5-fluoro-1H-indole

CAS: 955977-50-1

Formula: C27H31FN6OS

SMILES: FC1=CC=C2NC=CC2=C1C1=NC(N2CCOCC2)=C2SC(CN3CCN(CC4CC4)CC3)=CC2=N1

IUPAC: 4-(6-{[4-(cyclopropylmethyl)piperazin-1-yl]methyl}-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-2-yl)-5-fluoro-1H-indole

InChI: InChI=1S/C27H31FN6OS/c28-21-3-4-22-20(5-6-29-22)24(21)26-30-23-15-19(17-33-9-7-32(8-10-33)16-18-1-2-18)36-25(23)27(31-26)34-11-13-35-14-12-34/h3-6,15,18,29H,1-2,7-14,16-17H2

Composition: C (64.01%), H (6.17%), F (3.75%), N (16.59%), O (3.16%), S (6.33%)

Molar Mass: 506.64

Atom Count: 67

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	506.226408979
Formal Charge	0
FSP3	0.48
Hetero Ring Count	5
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	YDNOHCOYQVZOMC-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	152.54
Topological Polar Surface Area	60.52
Polarizability	56.49
Ring Count	7
Rotatable Bond Count	6

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