4-amino-1-(cyclohexylmethyl)-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one

C14H17F3N4O — CID 143526295

IUPAC4-amino-1-(cyclohexylmethyl)-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESNc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2CC1CCCCC1
InChIInChI=1S/C14H17F3N4O/c15-14(16,17)10-6-9-11(12(18)19-10)20-13(22)21(9)7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H2,18,19)(H,20,22)
InChIKeyCGBYAWGKHLPCEU-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.91
Rot. Bonds2

About 4-amino-1-(cyclohexylmethyl)-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one

4-amino-1-(cyclohexylmethyl)-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 143526295) has the molecular formula C14H17F3N4O and a molecular weight of 314.31 g/mol. Its IUPAC name is 4-amino-1-(cyclohexylmethyl)-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-(cyclohexylmethyl)-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID143526295
Molecular FormulaC14H17F3N4O
Molecular Weight314.31 g/mol
Exact Mass314.14
IUPAC Name4-amino-1-(cyclohexylmethyl)-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESNc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2CC1CCCCC1
InChIInChI=1S/C14H17F3N4O/c15-14(16,17)10-6-9-11(12(18)19-10)20-13(22)21(9)7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H2,18,19)(H,20,22)
InChIKeyCGBYAWGKHLPCEU-UHFFFAOYSA-N
XLogP2.91
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-benzyl-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 24765332
4-amino-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 54585905
4-amino-1-[[6-(cyclopropylmethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 70689851
4-amino-1-[[6-[2-[3-(hydroxymethyl)piperidin-1-yl]ethylamino]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 153401706
5-amino-1-benzyl-7-(trifluoromethyl)-4H-pyrido[3,4-b]pyrazine-2,3-dione
CID 52934199
4-amino-1-[[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56672555
4-amino-1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-pentyl-3H-imidazo[4,5-c]pyridin-2-one
CID 58083248
1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-amine
CID 43662075
3-(piperidin-4-ylmethyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117207111
4-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564036
1-(cyclohexylmethyl)-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 166630330
6-amino-9-[[3-[3-(cyclohexylmethyl)phenoxy]phenyl]methyl]-2-methyl-7H-purin-8-one
CID 159992710

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(cyclohexylmethyl)-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-(cyclohexylmethyl)-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one (CID 143526295) is 4-amino-1-(cyclohexylmethyl)-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-1-(cyclohexylmethyl)-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-(cyclohexylmethyl)-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is Nc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2CC1CCCCC1.
What is the InChIKey of 4-amino-1-(cyclohexylmethyl)-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is CGBYAWGKHLPCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O/c15-14(16,17)10-6-9-11(12(18)19-10)20-13(22)21(9)7-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H2,18,19)(H,20,22).
What are the key properties of 4-amino-1-(cyclohexylmethyl)-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-1-(cyclohexylmethyl)-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 314.31 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(cyclohexylmethyl)-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 143526295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).