(2R)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]butanamide

C17H15F3N4OS — CID 92701625

IUPAC(2R)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCC[C@@H](Sc1nc2ccncc2[nH]1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15F3N4OS/c1-2-14(26-16-23-12-6-7-21-9-13(12)24-16)15(25)22-11-5-3-4-10(8-11)17(18,19)20/h3-9,14H,2H2,1H3,(H,22,25)(H,23,24)/t14-/m1/s1
InChIKeyHPHYAVMZYDQDHS-CQSZACIVSA-N
MW380.40 g/mol
LogP4.49
Rot. Bonds5

About (2R)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]butanamide

(2R)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 92701625) has the molecular formula C17H15F3N4OS and a molecular weight of 380.40 g/mol. Its IUPAC name is (2R)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID92701625
Molecular FormulaC17H15F3N4OS
Molecular Weight380.40 g/mol
Exact Mass380.09
IUPAC Name(2R)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCC[C@@H](Sc1nc2ccncc2[nH]1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15F3N4OS/c1-2-14(26-16-23-12-6-7-21-9-13(12)24-16)15(25)22-11-5-3-4-10(8-11)17(18,19)20/h3-9,14H,2H2,1H3,(H,22,25)(H,23,24)/t14-/m1/s1
InChIKeyHPHYAVMZYDQDHS-CQSZACIVSA-N
XLogP4.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]butanamide with MolForge

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Related Compounds

N-(2-ethylphenyl)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)butanamide
CID 6625456
2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-(2,4,6-trimethylphenyl)butanamide
CID 20890966
2-(3-aminophenyl)sulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 18894310
N-(4-fluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide
CID 24557244
2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-chloro-4-methylphenyl)butanamide
CID 23942332
ethyl 4-[[(2S)-2-(1H-benzimidazol-2-ylsulfanyl)butanoyl]amino]benzoate
CID 1260086
N-[3-[1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18904532
N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]butanamide
CID 136686122
ethyl 3-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoylamino]benzoate
CID 136685817
2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)butanamide
CID 136684561
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 1160471
2-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-pyridin-3-ylbutanamide
CID 23886331

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of (2R)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]butanamide (CID 92701625) is (2R)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for (2R)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for (2R)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]butanamide is CC[C@@H](Sc1nc2ccncc2[nH]1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2R)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is HPHYAVMZYDQDHS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H15F3N4OS/c1-2-14(26-16-23-12-6-7-21-9-13(12)24-16)15(25)22-11-5-3-4-10(8-11)17(18,19)20/h3-9,14H,2H2,1H3,(H,22,25)(H,23,24)/t14-/m1/s1.
What are the key properties of (2R)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]butanamide?
(2R)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 380.40 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3H-imidazo[4,5-c]pyridin-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 92701625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).