N-(2,4-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide

C21H20F2N4O2 — CID 109071656

IUPACN-(2,4-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCC1CCCN(C(=O)c2nc(C(=O)Nc3ccc(F)cc3F)c3ccccn23)C1
InChIInChI=1S/C21H20F2N4O2/c1-13-5-4-9-26(12-13)21(29)19-25-18(17-6-2-3-10-27(17)19)20(28)24-16-8-7-14(22)11-15(16)23/h2-3,6-8,10-11,13H,4-5,9,12H2,1H3,(H,24,28)
InChIKeyMTFURNDUJGXGTO-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.74
Rot. Bonds3

About N-(2,4-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide

N-(2,4-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109071656) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID109071656
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC NameN-(2,4-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCC1CCCN(C(=O)c2nc(C(=O)Nc3ccc(F)cc3F)c3ccccn23)C1
InChIInChI=1S/C21H20F2N4O2/c1-13-5-4-9-26(12-13)21(29)19-25-18(17-6-2-3-10-27(17)19)20(28)24-16-8-7-14(22)11-15(16)23/h2-3,6-8,10-11,13H,4-5,9,12H2,1H3,(H,24,28)
InChIKeyMTFURNDUJGXGTO-UHFFFAOYSA-N
XLogP3.74
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-3-(3-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109071641
N-(3,4-dimethylphenyl)-3-(3-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109071640
1-N-cyclopropyl-3-N-(2,4-difluorophenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066620
3-(3-methylpiperidine-1-carbonyl)-N-prop-2-enylimidazo[1,5-a]pyridine-1-carboxamide
CID 109066867
[3-(3-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridin-1-yl]-morpholin-4-ylmethanone
CID 109069309
N-(2,4-difluorophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090432
N-(2,4-difluorophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107554
3-(4-ethylpiperazine-1-carbonyl)-N-(2-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109070037
1-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109070429
3-(azepane-1-carbonyl)-N-(2-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 109071771
N-(3-methylbutyl)-1-(3-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109071303
N-ethyl-3-(3-methylpiperidine-1-carbonyl)-N-phenylimidazo[1,5-a]pyridine-1-carboxamide
CID 109071646

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 109071656) is N-(2,4-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide is CC1CCCN(C(=O)c2nc(C(=O)Nc3ccc(F)cc3F)c3ccccn23)C1.
What is the InChIKey of N-(2,4-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is MTFURNDUJGXGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c1-13-5-4-9-26(12-13)21(29)19-25-18(17-6-2-3-10-27(17)19)20(28)24-16-8-7-14(22)11-15(16)23/h2-3,6-8,10-11,13H,4-5,9,12H2,1H3,(H,24,28).
What are the key properties of N-(2,4-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide?
N-(2,4-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 398.41 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109071656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).