N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[4-(4,4-difluoropiperidin-1-yl)-6-methyl-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-hydroxyethanesulfonamide

C27H34F2N6O3S — CID 170328584

IUPACN-[3-(6-azaspiro[2.5]octan-6-yl)-4-[4-(4,4-difluoropiperidin-1-yl)-6-methyl-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-hydroxyethanesulfonamide
SMILESCc1cc2[nH]c(-c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)nc2c(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C27H34F2N6O3S/c1-18-16-21-23(25(30-18)35-12-8-27(28,29)9-13-35)32-24(31-21)20-3-2-19(33-39(37,38)15-14-36)17-22(20)34-10-6-26(4-5-26)7-11-34/h2-3,16-17,33,36H,4-15H2,1H3,(H,31,32)
InChIKeyVWVKVCNRLKUXGZ-UHFFFAOYSA-N
MW560.67 g/mol
LogP4.28
Rot. Bonds7

About N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[4-(4,4-difluoropiperidin-1-yl)-6-methyl-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-hydroxyethanesulfonamide

N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[4-(4,4-difluoropiperidin-1-yl)-6-methyl-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-hydroxyethanesulfonamide (PubChem CID 170328584) has the molecular formula C27H34F2N6O3S and a molecular weight of 560.67 g/mol. Its IUPAC name is N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[4-(4,4-difluoropiperidin-1-yl)-6-methyl-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-hydroxyethanesulfonamide.

Molecular Properties

Compound NameN-[3-(6-azaspiro[2.5]octan-6-yl)-4-[4-(4,4-difluoropiperidin-1-yl)-6-methyl-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-hydroxyethanesulfonamide
PubChem CID170328584
Molecular FormulaC27H34F2N6O3S
Molecular Weight560.67 g/mol
Exact Mass560.24
IUPAC NameN-[3-(6-azaspiro[2.5]octan-6-yl)-4-[4-(4,4-difluoropiperidin-1-yl)-6-methyl-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-hydroxyethanesulfonamide
SMILESCc1cc2[nH]c(-c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)nc2c(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C27H34F2N6O3S/c1-18-16-21-23(25(30-18)35-12-8-27(28,29)9-13-35)32-24(31-21)20-3-2-19(33-39(37,38)15-14-36)17-22(20)34-10-6-26(4-5-26)7-11-34/h2-3,16-17,33,36H,4-15H2,1H3,(H,31,32)
InChIKeyVWVKVCNRLKUXGZ-UHFFFAOYSA-N
XLogP4.28
TPSA114.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.67
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[4-(4,4-difluoropiperidin-1-yl)-6-methyl-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-hydroxyethanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[4-(4,4-difluoropiperidin-1-yl)-6-methyl-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-hydroxyethanesulfonamide?
The IUPAC name of N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[4-(4,4-difluoropiperidin-1-yl)-6-methyl-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-hydroxyethanesulfonamide (CID 170328584) is N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[4-(4,4-difluoropiperidin-1-yl)-6-methyl-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-hydroxyethanesulfonamide.
What is the SMILES notation for N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[4-(4,4-difluoropiperidin-1-yl)-6-methyl-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-hydroxyethanesulfonamide?
The canonical SMILES for N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[4-(4,4-difluoropiperidin-1-yl)-6-methyl-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-hydroxyethanesulfonamide is Cc1cc2[nH]c(-c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)nc2c(N2CCC(F)(F)CC2)n1.
What is the InChIKey of N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[4-(4,4-difluoropiperidin-1-yl)-6-methyl-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-hydroxyethanesulfonamide?
The InChIKey is VWVKVCNRLKUXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F2N6O3S/c1-18-16-21-23(25(30-18)35-12-8-27(28,29)9-13-35)32-24(31-21)20-3-2-19(33-39(37,38)15-14-36)17-22(20)34-10-6-26(4-5-26)7-11-34/h2-3,16-17,33,36H,4-15H2,1H3,(H,31,32).
What are the key properties of N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[4-(4,4-difluoropiperidin-1-yl)-6-methyl-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-hydroxyethanesulfonamide?
N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[4-(4,4-difluoropiperidin-1-yl)-6-methyl-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-hydroxyethanesulfonamide has a molecular weight of 560.67 g/mol, XLogP of 4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-azaspiro[2.5]octan-6-yl)-4-[4-(4,4-difluoropiperidin-1-yl)-6-methyl-1H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-hydroxyethanesulfonamide is sourced from PubChem (CID 170328584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).