(3R)-4-hydroxy-3-phenyl-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]butanamide

C25H23F3N4O3 — CID 140836304

IUPAC(3R)-4-hydroxy-3-phenyl-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]butanamide
SMILESNC(=O)C(Cc1nc2ccncc2n1Cc1ccc(OC(F)(F)F)cc1)[C@@H](CO)c1ccccc1
InChIInChI=1S/C25H23F3N4O3/c26-25(27,28)35-18-8-6-16(7-9-18)14-32-22-13-30-11-10-21(22)31-23(32)12-19(24(29)34)20(15-33)17-4-2-1-3-5-17/h1-11,13,19-20,33H,12,14-15H2,(H2,29,34)/t19?,20-/m0/s1
InChIKeySVAZULKRKPAVKR-ANYOKISRSA-N
MW484.48 g/mol
LogP3.80
Rot. Bonds9

About (3R)-4-hydroxy-3-phenyl-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]butanamide

(3R)-4-hydroxy-3-phenyl-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]butanamide (PubChem CID 140836304) has the molecular formula C25H23F3N4O3 and a molecular weight of 484.48 g/mol. Its IUPAC name is (3R)-4-hydroxy-3-phenyl-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]butanamide.

Molecular Properties

Compound Name(3R)-4-hydroxy-3-phenyl-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]butanamide
PubChem CID140836304
Molecular FormulaC25H23F3N4O3
Molecular Weight484.48 g/mol
Exact Mass484.17
IUPAC Name(3R)-4-hydroxy-3-phenyl-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]butanamide
SMILESNC(=O)C(Cc1nc2ccncc2n1Cc1ccc(OC(F)(F)F)cc1)[C@@H](CO)c1ccccc1
InChIInChI=1S/C25H23F3N4O3/c26-25(27,28)35-18-8-6-16(7-9-18)14-32-22-13-30-11-10-21(22)31-23(32)12-19(24(29)34)20(15-33)17-4-2-1-3-5-17/h1-11,13,19-20,33H,12,14-15H2,(H2,29,34)/t19?,20-/m0/s1
InChIKeySVAZULKRKPAVKR-ANYOKISRSA-N
XLogP3.80
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-benzyl-4-hydroxy-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide
CID 140836352
(3R)-3-(4-chlorophenyl)-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide
CID 140836306
3-[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]-N-(1-phenylethyl)propanamide
CID 174235367
tert-butyl 4-[[3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]propanoylamino]methyl]piperidine-1-carboxylate
CID 122445701
(3R)-4-hydroxy-2-methyl-3-phenyl-2-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylbutanamide
CID 140836337
6-chloro-2-(phenoxymethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole
CID 134126909
(3S)-3-[4-[(3S)-3-methylpiperazin-1-yl]phenyl]-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide
CID 153492874
(2S)-2-(2,3-dihydro-1H-inden-1-yl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 140836322
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445665
2-ethoxy-4-[[1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]methoxy]benzoic acid
CID 142221242
2-bromo-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 104512947
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445548

Frequently Asked Questions

What is the IUPAC name of (3R)-4-hydroxy-3-phenyl-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]butanamide?
The IUPAC name of (3R)-4-hydroxy-3-phenyl-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]butanamide (CID 140836304) is (3R)-4-hydroxy-3-phenyl-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]butanamide.
What is the SMILES notation for (3R)-4-hydroxy-3-phenyl-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]butanamide?
The canonical SMILES for (3R)-4-hydroxy-3-phenyl-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]butanamide is NC(=O)C(Cc1nc2ccncc2n1Cc1ccc(OC(F)(F)F)cc1)[C@@H](CO)c1ccccc1.
What is the InChIKey of (3R)-4-hydroxy-3-phenyl-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]butanamide?
The InChIKey is SVAZULKRKPAVKR-ANYOKISRSA-N. The full InChI is InChI=1S/C25H23F3N4O3/c26-25(27,28)35-18-8-6-16(7-9-18)14-32-22-13-30-11-10-21(22)31-23(32)12-19(24(29)34)20(15-33)17-4-2-1-3-5-17/h1-11,13,19-20,33H,12,14-15H2,(H2,29,34)/t19?,20-/m0/s1.
What are the key properties of (3R)-4-hydroxy-3-phenyl-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]butanamide?
(3R)-4-hydroxy-3-phenyl-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]butanamide has a molecular weight of 484.48 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-hydroxy-3-phenyl-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]methyl]butanamide is sourced from PubChem (CID 140836304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).