1-chloro-N-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridine-3-carboxamide

C14H14ClF2N3O — CID 70943935

IUPAC1-chloro-N-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1nc(Cl)c2ccccn12
InChIInChI=1S/C14H14ClF2N3O/c15-11-10-3-1-2-8-20(10)12(19-11)13(21)18-9-4-6-14(16,17)7-5-9/h1-3,8-9H,4-7H2,(H,18,21)
InChIKeyYGUQEFNSFBZYSH-UHFFFAOYSA-N
MW313.73 g/mol
LogP3.30
Rot. Bonds2

About 1-chloro-N-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridine-3-carboxamide

1-chloro-N-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 70943935) has the molecular formula C14H14ClF2N3O and a molecular weight of 313.73 g/mol. Its IUPAC name is 1-chloro-N-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-chloro-N-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridine-3-carboxamide
PubChem CID70943935
Molecular FormulaC14H14ClF2N3O
Molecular Weight313.73 g/mol
Exact Mass313.08
IUPAC Name1-chloro-N-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridine-3-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1nc(Cl)c2ccccn12
InChIInChI=1S/C14H14ClF2N3O/c15-11-10-3-1-2-8-20(10)12(19-11)13(21)18-9-4-6-14(16,17)7-5-9/h1-3,8-9H,4-7H2,(H,18,21)
InChIKeyYGUQEFNSFBZYSH-UHFFFAOYSA-N
XLogP3.30
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.73
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,4-difluorocyclohexyl)-1-pyridin-4-ylimidazo[1,5-a]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171926382
N-(4,4-difluorocyclohexyl)-1-[(2E,4Z)-1-iminohexa-2,4-dien-3-yl]imidazo[1,5-a]pyridine-3-carboxamide
CID 163519753
1-chloro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]imidazo[1,5-a]pyridine-3-carboxamide
CID 70943936
3-N-cyclohexyl-1-N-cyclopentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068157
1-N-benzyl-3-N-cyclopropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066660
1-N-(3-chloro-4-fluorophenyl)-3-N-cyclopropylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066744
1-(1-chloroimidazo[1,5-a]pyridin-3-yl)ethanone
CID 83879180
1-N-[(4-chlorophenyl)methyl]-3-N-cyclopentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068281
3-N-cyclohexyl-1-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067383
1-(azepane-1-carbonyl)-N-cycloheptylimidazo[1,5-a]pyridine-3-carboxamide
CID 109071234
3-N-cyclohexyl-1-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068652
1-N-tert-butyl-3-N-cycloheptylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071055

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 1-chloro-N-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridine-3-carboxamide (CID 70943935) is 1-chloro-N-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 1-chloro-N-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 1-chloro-N-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridine-3-carboxamide is O=C(NC1CCC(F)(F)CC1)c1nc(Cl)c2ccccn12.
What is the InChIKey of 1-chloro-N-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is YGUQEFNSFBZYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2N3O/c15-11-10-3-1-2-8-20(10)12(19-11)13(21)18-9-4-6-14(16,17)7-5-9/h1-3,8-9H,4-7H2,(H,18,21).
What are the key properties of 1-chloro-N-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridine-3-carboxamide?
1-chloro-N-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 313.73 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(4,4-difluorocyclohexyl)imidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 70943935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).