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

C38H43F5N8O2 — CID 147828664

IUPACN-(2,2-difluoroethyl)-3,4-difluoro-5-[[6-[5-fluoro-3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide
SMILESCc1c(C(=O)NCC(F)F)cc(Nc2nc(-c3cc4c(nc3F)C(C)(C)C(=O)N4C3CC(C)(N4CCCCC4)C3)cc3ncn(C(C)C)c23)c(F)c1F
InChIInChI=1S/C38H43F5N8O2/c1-19(2)50-18-45-26-14-24(46-34(31(26)50)47-25-12-22(20(3)29(41)30(25)42)35(52)44-17-28(39)40)23-13-27-32(48-33(23)43)37(4,5)36(53)51(27)21-15-38(6,16-21)49-10-8-7-9-11-49/h12-14,18-19,21,28H,7-11,15-17H2,1-6H3,(H,44,52)(H,46,47)
InChIKeyHQQUEZUMGHBOIS-UHFFFAOYSA-N
MW738.81 g/mol
LogP7.57
Rot. Bonds9

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

N-(2,2-difluoroethyl)-3,4-difluoro-5-[[6-[5-fluoro-3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide (PubChem CID 147828664) has the molecular formula C38H43F5N8O2 and a molecular weight of 738.81 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3,4-difluoro-5-[[6-[5-fluoro-3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3,4-difluoro-5-[[6-[5-fluoro-3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide
PubChem CID147828664
Molecular FormulaC38H43F5N8O2
Molecular Weight738.81 g/mol
Exact Mass738.34
IUPAC NameN-(2,2-difluoroethyl)-3,4-difluoro-5-[[6-[5-fluoro-3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide
SMILESCc1c(C(=O)NCC(F)F)cc(Nc2nc(-c3cc4c(nc3F)C(C)(C)C(=O)N4C3CC(C)(N4CCCCC4)C3)cc3ncn(C(C)C)c23)c(F)c1F
InChIInChI=1S/C38H43F5N8O2/c1-19(2)50-18-45-26-14-24(46-34(31(26)50)47-25-12-22(20(3)29(41)30(25)42)35(52)44-17-28(39)40)23-13-27-32(48-33(23)43)37(4,5)36(53)51(27)21-15-38(6,16-21)49-10-8-7-9-11-49/h12-14,18-19,21,28H,7-11,15-17H2,1-6H3,(H,44,52)(H,46,47)
InChIKeyHQQUEZUMGHBOIS-UHFFFAOYSA-N
XLogP7.57
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.81
LogP ≤ 57.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(2,2-difluoroethyl)-3,4-difluoro-5-[[6-[5-fluoro-3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide 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 N-(2,2-difluoroethyl)-3,4-difluoro-5-[[6-[5-fluoro-3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide?
The IUPAC name of N-(2,2-difluoroethyl)-3,4-difluoro-5-[[6-[5-fluoro-3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide (CID 147828664) is N-(2,2-difluoroethyl)-3,4-difluoro-5-[[6-[5-fluoro-3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-3,4-difluoro-5-[[6-[5-fluoro-3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide?
The canonical SMILES for N-(2,2-difluoroethyl)-3,4-difluoro-5-[[6-[5-fluoro-3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide is Cc1c(C(=O)NCC(F)F)cc(Nc2nc(-c3cc4c(nc3F)C(C)(C)C(=O)N4C3CC(C)(N4CCCCC4)C3)cc3ncn(C(C)C)c23)c(F)c1F.
What is the InChIKey of N-(2,2-difluoroethyl)-3,4-difluoro-5-[[6-[5-fluoro-3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide?
The InChIKey is HQQUEZUMGHBOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43F5N8O2/c1-19(2)50-18-45-26-14-24(46-34(31(26)50)47-25-12-22(20(3)29(41)30(25)42)35(52)44-17-28(39)40)23-13-27-32(48-33(23)43)37(4,5)36(53)51(27)21-15-38(6,16-21)49-10-8-7-9-11-49/h12-14,18-19,21,28H,7-11,15-17H2,1-6H3,(H,44,52)(H,46,47).
What are the key properties of N-(2,2-difluoroethyl)-3,4-difluoro-5-[[6-[5-fluoro-3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide?
N-(2,2-difluoroethyl)-3,4-difluoro-5-[[6-[5-fluoro-3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide has a molecular weight of 738.81 g/mol, XLogP of 7.57, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3,4-difluoro-5-[[6-[5-fluoro-3,3-dimethyl-1-(3-methyl-3-piperidin-1-ylcyclobutyl)-2-oxopyrrolo[3,2-b]pyridin-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-2-methylbenzamide is sourced from PubChem (CID 147828664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).