2-[[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]-N,5-dimethylpyridine-4-carboxamide

C36H44N8O2 — CID 146592399

IUPAC2-[[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]-N,5-dimethylpyridine-4-carboxamide
SMILESCNC(=O)c1cc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)ncc1C
InChIInChI=1S/C36H44N8O2/c1-21(2)43-20-39-29-18-28(40-33(32(29)43)41-31-17-26(34(45)37-6)22(3)19-38-31)23-10-11-27-30(14-23)44(35(46)36(27,4)5)25-15-24(16-25)42-12-8-7-9-13-42/h10-11,14,17-21,24-25H,7-9,12-13,15-16H2,1-6H3,(H,37,45)(H,38,40,41)
InChIKeyXQBWCTWISDOYRB-UHFFFAOYSA-N
MW620.80 g/mol
LogP6.13
Rot. Bonds7

About 2-[[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]-N,5-dimethylpyridine-4-carboxamide

2-[[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]-N,5-dimethylpyridine-4-carboxamide (PubChem CID 146592399) has the molecular formula C36H44N8O2 and a molecular weight of 620.80 g/mol. Its IUPAC name is 2-[[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]-N,5-dimethylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[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]-N,5-dimethylpyridine-4-carboxamide
PubChem CID146592399
Molecular FormulaC36H44N8O2
Molecular Weight620.80 g/mol
Exact Mass620.36
IUPAC Name2-[[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]-N,5-dimethylpyridine-4-carboxamide
SMILESCNC(=O)c1cc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)ncc1C
InChIInChI=1S/C36H44N8O2/c1-21(2)43-20-39-29-18-28(40-33(32(29)43)41-31-17-26(34(45)37-6)22(3)19-38-31)23-10-11-27-30(14-23)44(35(46)36(27,4)5)25-15-24(16-25)42-12-8-7-9-13-42/h10-11,14,17-21,24-25H,7-9,12-13,15-16H2,1-6H3,(H,37,45)(H,38,40,41)
InChIKeyXQBWCTWISDOYRB-UHFFFAOYSA-N
XLogP6.13
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.80
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[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]-N,5-dimethylpyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[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]-N,5-dimethylpyridine-4-carboxamide?
The IUPAC name of 2-[[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]-N,5-dimethylpyridine-4-carboxamide (CID 146592399) is 2-[[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]-N,5-dimethylpyridine-4-carboxamide.
What is the SMILES notation for 2-[[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]-N,5-dimethylpyridine-4-carboxamide?
The canonical SMILES for 2-[[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]-N,5-dimethylpyridine-4-carboxamide is CNC(=O)c1cc(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C4(C)C)cc3ncn(C(C)C)c23)ncc1C.
What is the InChIKey of 2-[[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]-N,5-dimethylpyridine-4-carboxamide?
The InChIKey is XQBWCTWISDOYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44N8O2/c1-21(2)43-20-39-29-18-28(40-33(32(29)43)41-31-17-26(34(45)37-6)22(3)19-38-31)23-10-11-27-30(14-23)44(35(46)36(27,4)5)25-15-24(16-25)42-12-8-7-9-13-42/h10-11,14,17-21,24-25H,7-9,12-13,15-16H2,1-6H3,(H,37,45)(H,38,40,41).
What are the key properties of 2-[[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]-N,5-dimethylpyridine-4-carboxamide?
2-[[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]-N,5-dimethylpyridine-4-carboxamide has a molecular weight of 620.80 g/mol, XLogP of 6.13, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[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]-N,5-dimethylpyridine-4-carboxamide is sourced from PubChem (CID 146592399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).