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

C39H45F4N7O2 — CID 152954220

IUPACN-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide
SMILESCc1c(C(=O)NCC(F)F)cc(Nc2nc(-c3ccc4c(c3)N(C3CC(C)(N5CCCCC5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)c(F)c1F
InChIInChI=1S/C39H45F4N7O2/c1-21(2)49-20-45-29-16-27(46-35(34(29)49)47-28-15-25(22(3)32(42)33(28)43)36(51)44-19-31(40)41)23-10-11-26-30(14-23)50(37(52)38(26,4)5)24-17-39(6,18-24)48-12-8-7-9-13-48/h10-11,14-16,20-21,24,31H,7-9,12-13,17-19H2,1-6H3,(H,44,51)(H,46,47)
InChIKeyUPHKVNPONLWFDT-UHFFFAOYSA-N
MW719.83 g/mol
LogP8.04
Rot. Bonds9

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

N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide (PubChem CID 152954220) has the molecular formula C39H45F4N7O2 and a molecular weight of 719.83 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide
PubChem CID152954220
Molecular FormulaC39H45F4N7O2
Molecular Weight719.83 g/mol
Exact Mass719.36
IUPAC NameN-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide
SMILESCc1c(C(=O)NCC(F)F)cc(Nc2nc(-c3ccc4c(c3)N(C3CC(C)(N5CCCCC5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)c(F)c1F
InChIInChI=1S/C39H45F4N7O2/c1-21(2)49-20-45-29-16-27(46-35(34(29)49)47-28-15-25(22(3)32(42)33(28)43)36(51)44-19-31(40)41)23-10-11-26-30(14-23)50(37(52)38(26,4)5)24-17-39(6,18-24)48-12-8-7-9-13-48/h10-11,14-16,20-21,24,31H,7-9,12-13,17-19H2,1-6H3,(H,44,51)(H,46,47)
InChIKeyUPHKVNPONLWFDT-UHFFFAOYSA-N
XLogP8.04
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.83
LogP ≤ 58.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide?
The IUPAC name of N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide (CID 152954220) is N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide?
The canonical SMILES for N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide is Cc1c(C(=O)NCC(F)F)cc(Nc2nc(-c3ccc4c(c3)N(C3CC(C)(N5CCCCC5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)c(F)c1F.
What is the InChIKey of N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide?
The InChIKey is UPHKVNPONLWFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H45F4N7O2/c1-21(2)49-20-45-29-16-27(46-35(34(29)49)47-28-15-25(22(3)32(42)33(28)43)36(51)44-19-31(40)41)23-10-11-26-30(14-23)50(37(52)38(26,4)5)24-17-39(6,18-24)48-12-8-7-9-13-48/h10-11,14-16,20-21,24,31H,7-9,12-13,17-19H2,1-6H3,(H,44,51)(H,46,47).
What are the key properties of N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide?
N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide has a molecular weight of 719.83 g/mol, XLogP of 8.04, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-[[6-[3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxoindol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-3,4-difluoro-2-methylbenzamide is sourced from PubChem (CID 152954220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).