2-chloro-N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(1-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluorobenzamide

C38H43ClF3N7O2 — CID 163200183

IUPAC2-chloro-N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(1-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluorobenzamide
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3(C)CC(N5CCCCC5)C3)C(=O)C4(C)C)nc(Nc3cc(C(=O)NCC(F)F)c(Cl)cc3F)c21
InChIInChI=1S/C38H43ClF3N7O2/c1-21(2)48-20-44-30-16-28(45-34(33(30)48)46-29-14-24(26(39)15-27(29)40)35(50)43-19-32(41)42)22-9-10-25-31(13-22)49(36(51)37(25,3)4)38(5)17-23(18-38)47-11-7-6-8-12-47/h9-10,13-16,20-21,23,32H,6-8,11-12,17-19H2,1-5H3,(H,43,50)(H,45,46)
InChIKeyUQHNCZMDAZGRSI-UHFFFAOYSA-N
MW722.26 g/mol
LogP8.24
Rot. Bonds9

About 2-chloro-N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(1-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluorobenzamide

2-chloro-N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(1-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluorobenzamide (PubChem CID 163200183) has the molecular formula C38H43ClF3N7O2 and a molecular weight of 722.26 g/mol. Its IUPAC name is 2-chloro-N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(1-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(1-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluorobenzamide
PubChem CID163200183
Molecular FormulaC38H43ClF3N7O2
Molecular Weight722.26 g/mol
Exact Mass721.31
IUPAC Name2-chloro-N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(1-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluorobenzamide
SMILESCC(C)n1cnc2cc(-c3ccc4c(c3)N(C3(C)CC(N5CCCCC5)C3)C(=O)C4(C)C)nc(Nc3cc(C(=O)NCC(F)F)c(Cl)cc3F)c21
InChIInChI=1S/C38H43ClF3N7O2/c1-21(2)48-20-44-30-16-28(45-34(33(30)48)46-29-14-24(26(39)15-27(29)40)35(50)43-19-32(41)42)22-9-10-25-31(13-22)49(36(51)37(25,3)4)38(5)17-23(18-38)47-11-7-6-8-12-47/h9-10,13-16,20-21,23,32H,6-8,11-12,17-19H2,1-5H3,(H,43,50)(H,45,46)
InChIKeyUQHNCZMDAZGRSI-UHFFFAOYSA-N
XLogP8.24
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.26
LogP ≤ 58.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-chloro-N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(1-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(1-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(1-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluorobenzamide (CID 163200183) is 2-chloro-N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(1-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(1-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(1-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluorobenzamide is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3(C)CC(N5CCCCC5)C3)C(=O)C4(C)C)nc(Nc3cc(C(=O)NCC(F)F)c(Cl)cc3F)c21.
What is the InChIKey of 2-chloro-N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(1-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluorobenzamide?
The InChIKey is UQHNCZMDAZGRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43ClF3N7O2/c1-21(2)48-20-44-30-16-28(45-34(33(30)48)46-29-14-24(26(39)15-27(29)40)35(50)43-19-32(41)42)22-9-10-25-31(13-22)49(36(51)37(25,3)4)38(5)17-23(18-38)47-11-7-6-8-12-47/h9-10,13-16,20-21,23,32H,6-8,11-12,17-19H2,1-5H3,(H,43,50)(H,45,46).
What are the key properties of 2-chloro-N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(1-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluorobenzamide?
2-chloro-N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(1-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluorobenzamide has a molecular weight of 722.26 g/mol, XLogP of 8.24, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(1-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluorobenzamide is sourced from PubChem (CID 163200183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).