2-cyclobutyl-5-(4-imidazo[1,5-a]pyridin-7-ylpiperidine-1-carbonyl)-N,4-dimethylbenzamide;ethane;methanol

C31H46N4O3 — CID 168884255

IUPAC2-cyclobutyl-5-(4-imidazo[1,5-a]pyridin-7-ylpiperidine-1-carbonyl)-N,4-dimethylbenzamide;ethane;methanol
SMILESCC.CC.CNC(=O)c1cc(C(=O)N2CCC(c3ccn4cncc4c3)CC2)c(C)cc1C1CCC1.CO
InChIInChI=1S/C26H30N4O2.2C2H6.CH4O/c1-17-12-23(19-4-3-5-19)24(25(31)27-2)14-22(17)26(32)29-9-6-18(7-10-29)20-8-11-30-16-28-15-21(30)13-20;3*1-2/h8,11-16,18-19H,3-7,9-10H2,1-2H3,(H,27,31);2*1-2H3;2H,1H3
InChIKeyKHYQRWZUFLJZIU-UHFFFAOYSA-N
MW522.73 g/mol
LogP5.95
Rot. Bonds4

About 2-cyclobutyl-5-(4-imidazo[1,5-a]pyridin-7-ylpiperidine-1-carbonyl)-N,4-dimethylbenzamide;ethane;methanol

2-cyclobutyl-5-(4-imidazo[1,5-a]pyridin-7-ylpiperidine-1-carbonyl)-N,4-dimethylbenzamide;ethane;methanol (PubChem CID 168884255) has the molecular formula C31H46N4O3 and a molecular weight of 522.73 g/mol. Its IUPAC name is 2-cyclobutyl-5-(4-imidazo[1,5-a]pyridin-7-ylpiperidine-1-carbonyl)-N,4-dimethylbenzamide;ethane;methanol.

Molecular Properties

Compound Name2-cyclobutyl-5-(4-imidazo[1,5-a]pyridin-7-ylpiperidine-1-carbonyl)-N,4-dimethylbenzamide;ethane;methanol
PubChem CID168884255
Molecular FormulaC31H46N4O3
Molecular Weight522.73 g/mol
Exact Mass522.36
IUPAC Name2-cyclobutyl-5-(4-imidazo[1,5-a]pyridin-7-ylpiperidine-1-carbonyl)-N,4-dimethylbenzamide;ethane;methanol
SMILESCC.CC.CNC(=O)c1cc(C(=O)N2CCC(c3ccn4cncc4c3)CC2)c(C)cc1C1CCC1.CO
InChIInChI=1S/C26H30N4O2.2C2H6.CH4O/c1-17-12-23(19-4-3-5-19)24(25(31)27-2)14-22(17)26(32)29-9-6-18(7-10-29)20-8-11-30-16-28-15-21(30)13-20;3*1-2/h8,11-16,18-19H,3-7,9-10H2,1-2H3,(H,27,31);2*1-2H3;2H,1H3
InChIKeyKHYQRWZUFLJZIU-UHFFFAOYSA-N
XLogP5.95
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.73
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclobutyl-5-(4-imidazo[1,2-a]pyridin-6-ylpiperidine-1-carbonyl)-N,4-dimethylbenzamide
CID 90066765
5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-N,4-dimethylbenzamide;5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-methylbenzoic acid;methanamine
CID 158788228
2-cyclobutyl-5-[4-(1H-indazol-5-yl)piperidine-1-carbonyl]-N,4-dimethylbenzamide;4-cyclobutyl-2-methyl-5-(methylcarbamoyl)benzoic acid;5-piperidin-4-yl-1H-indazole
CID 160528771
5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-methylbenzoic acid;methanol;methyl 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-methylbenzoate
CID 157214542
4-[1-(4-cyclobutyl-5-formyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile
CID 86672547
4-[1-[5-(2-bromoacetyl)-4-cyclobutyl-2-methylbenzoyl]piperidin-4-yl]benzonitrile;5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-methylbenzoyl chloride
CID 159745167
(2,4-dimethylphenyl)-[4-[3-(piperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50849004
4-[1-(4-cyclobutyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile
CID 141349847
methyl 4-[1-[4-cyclobutyl-2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)benzoyl]piperidin-4-yl]benzoate
CID 178075954
[4-(3,4-difluorophenyl)piperidin-1-yl]-imidazo[1,5-a]pyridin-8-ylmethanone
CID 171627970
cyclobutyl-[4-[3-(4-methylpiperidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methanone
CID 50848877
N-(5-chloro-2-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)pyrazolo[1,5-a]pyridin-5-yl]piperidine-1-carboxamide
CID 50848979

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-(4-imidazo[1,5-a]pyridin-7-ylpiperidine-1-carbonyl)-N,4-dimethylbenzamide;ethane;methanol?
The IUPAC name of 2-cyclobutyl-5-(4-imidazo[1,5-a]pyridin-7-ylpiperidine-1-carbonyl)-N,4-dimethylbenzamide;ethane;methanol (CID 168884255) is 2-cyclobutyl-5-(4-imidazo[1,5-a]pyridin-7-ylpiperidine-1-carbonyl)-N,4-dimethylbenzamide;ethane;methanol.
What is the SMILES notation for 2-cyclobutyl-5-(4-imidazo[1,5-a]pyridin-7-ylpiperidine-1-carbonyl)-N,4-dimethylbenzamide;ethane;methanol?
The canonical SMILES for 2-cyclobutyl-5-(4-imidazo[1,5-a]pyridin-7-ylpiperidine-1-carbonyl)-N,4-dimethylbenzamide;ethane;methanol is CC.CC.CNC(=O)c1cc(C(=O)N2CCC(c3ccn4cncc4c3)CC2)c(C)cc1C1CCC1.CO.
What is the InChIKey of 2-cyclobutyl-5-(4-imidazo[1,5-a]pyridin-7-ylpiperidine-1-carbonyl)-N,4-dimethylbenzamide;ethane;methanol?
The InChIKey is KHYQRWZUFLJZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2.2C2H6.CH4O/c1-17-12-23(19-4-3-5-19)24(25(31)27-2)14-22(17)26(32)29-9-6-18(7-10-29)20-8-11-30-16-28-15-21(30)13-20;3*1-2/h8,11-16,18-19H,3-7,9-10H2,1-2H3,(H,27,31);2*1-2H3;2H,1H3.
What are the key properties of 2-cyclobutyl-5-(4-imidazo[1,5-a]pyridin-7-ylpiperidine-1-carbonyl)-N,4-dimethylbenzamide;ethane;methanol?
2-cyclobutyl-5-(4-imidazo[1,5-a]pyridin-7-ylpiperidine-1-carbonyl)-N,4-dimethylbenzamide;ethane;methanol has a molecular weight of 522.73 g/mol, XLogP of 5.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-(4-imidazo[1,5-a]pyridin-7-ylpiperidine-1-carbonyl)-N,4-dimethylbenzamide;ethane;methanol is sourced from PubChem (CID 168884255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).