4-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-5-fluoro-N-methylpyridine-2-carboxamide

C35H41FN8O2 — CID 146639995

IUPAC4-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-5-fluoro-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)c(F)cn1
InChIInChI=1S/C35H41FN8O2/c1-20(2)43-19-39-28-16-26(40-32(31(28)43)41-27-17-29(33(45)37-5)38-18-25(27)36)21-9-10-24-30(13-21)44(34(46)35(24,3)4)23-14-22(15-23)42-11-7-6-8-12-42/h9-10,13,16-20,22-23H,6-8,11-12,14-15H2,1-5H3,(H,37,45)(H,38,40,41)
InChIKeyBXHCOGAVPCSZMZ-UHFFFAOYSA-N
MW624.77 g/mol
LogP5.96
Rot. Bonds7

About 4-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-5-fluoro-N-methylpyridine-2-carboxamide

4-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-5-fluoro-N-methylpyridine-2-carboxamide (PubChem CID 146639995) has the molecular formula C35H41FN8O2 and a molecular weight of 624.77 g/mol. Its IUPAC name is 4-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-5-fluoro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-5-fluoro-N-methylpyridine-2-carboxamide
PubChem CID146639995
Molecular FormulaC35H41FN8O2
Molecular Weight624.77 g/mol
Exact Mass624.33
IUPAC Name4-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-5-fluoro-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)c(F)cn1
InChIInChI=1S/C35H41FN8O2/c1-20(2)43-19-39-28-16-26(40-32(31(28)43)41-27-17-29(33(45)37-5)38-18-25(27)36)21-9-10-24-30(13-21)44(34(46)35(24,3)4)23-14-22(15-23)42-11-7-6-8-12-42/h9-10,13,16-20,22-23H,6-8,11-12,14-15H2,1-5H3,(H,37,45)(H,38,40,41)
InChIKeyBXHCOGAVPCSZMZ-UHFFFAOYSA-N
XLogP5.96
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.77
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-5-fluoro-N-methylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-5-fluoro-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-5-fluoro-N-methylpyridine-2-carboxamide (CID 146639995) is 4-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-5-fluoro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-5-fluoro-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-5-fluoro-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)c(F)cn1.
What is the InChIKey of 4-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-5-fluoro-N-methylpyridine-2-carboxamide?
The InChIKey is BXHCOGAVPCSZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41FN8O2/c1-20(2)43-19-39-28-16-26(40-32(31(28)43)41-27-17-29(33(45)37-5)38-18-25(27)36)21-9-10-24-30(13-21)44(34(46)35(24,3)4)23-14-22(15-23)42-11-7-6-8-12-42/h9-10,13,16-20,22-23H,6-8,11-12,14-15H2,1-5H3,(H,37,45)(H,38,40,41).
What are the key properties of 4-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-5-fluoro-N-methylpyridine-2-carboxamide?
4-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-5-fluoro-N-methylpyridine-2-carboxamide has a molecular weight of 624.77 g/mol, XLogP of 5.96, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[3,3-dimethyl-2-oxo-1-(3-piperidin-1-ylcyclobutyl)indol-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-5-fluoro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 146639995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).