Text Search
Structure Search

N-(3-{5-[(1-ethylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide

N-(3-{5-[(1-ethylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide

CAS: 1392429-79-6

Formula: C28H33F2N7O2S

SMILES: CCCS(=O)(=O)NC1=CC=C(F)C(N2C=C(C3=NC(=CC=C23)N(C)C2CCN(CC)CC2)C2=CN=CN=C2)=C1F

IUPAC: N-(3-{5-[(1-ethylpiperidin-4-yl)(methyl)amino]-3-(pyrimidin-5-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl}-2,4-difluorophenyl)propane-1-sulfonamide

InChI: InChI=1S/C28H33F2N7O2S/c1-4-14-40(38,39)34-23-7-6-22(29)28(26(23)30)37-17-21(19-15-31-18-32-16-19)27-24(37)8-9-25(33-27)35(3)20-10-12-36(5-2)13-11-20/h6-9,15-18,20,34H,4-5,10-14H2,1-3H3

Composition: C (59.03%), H (5.84%), F (6.67%), N (17.21%), O (5.62%), S (5.63%)

Molar Mass: 569.68

Atom Count: 73

Heavy Atom Count: 40

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 569.238450831
Formal Charge 0
FSP3 0.39
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 1
InChIKey AEJACXAFHXBVHF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 162.86
Topological Polar Surface Area 96.25
Polarizability 60.87
Ring Count 5
Rotatable Bond Count 7

Suppliers

No suppliers are currently stocking this item.