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

C25H22ClF3N4O2 — CID 140836306

IUPAC(3R)-3-(4-chlorophenyl)-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide
SMILESC[C@@H](c1ccc(Cl)cc1)C(Cc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)C(N)=O
InChIInChI=1S/C25H22ClF3N4O2/c1-15(17-6-8-18(26)9-7-17)20(23(30)34)13-22-32-21-3-2-12-31-24(21)33(22)14-16-4-10-19(11-5-16)35-25(27,28)29/h2-12,15,20H,13-14H2,1H3,(H2,30,34)/t15-,20?/m0/s1
InChIKeyQGUCRDRSXRXIOF-OOJLDXBWSA-N
MW502.92 g/mol
LogP5.48
Rot. Bonds8

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

(3R)-3-(4-chlorophenyl)-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide (PubChem CID 140836306) has the molecular formula C25H22ClF3N4O2 and a molecular weight of 502.92 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide
PubChem CID140836306
Molecular FormulaC25H22ClF3N4O2
Molecular Weight502.92 g/mol
Exact Mass502.14
IUPAC Name(3R)-3-(4-chlorophenyl)-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide
SMILESC[C@@H](c1ccc(Cl)cc1)C(Cc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)C(N)=O
InChIInChI=1S/C25H22ClF3N4O2/c1-15(17-6-8-18(26)9-7-17)20(23(30)34)13-22-32-21-3-2-12-31-24(21)33(22)14-16-4-10-19(11-5-16)35-25(27,28)29/h2-12,15,20H,13-14H2,1H3,(H2,30,34)/t15-,20?/m0/s1
InChIKeyQGUCRDRSXRXIOF-OOJLDXBWSA-N
XLogP5.48
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.92
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-(4-chlorophenyl)-2-[[3-[[4-(difluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide
CID 140836291
(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
(3S)-3-benzyl-4-hydroxy-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide
CID 140836352
(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-[(1S)-1-[4-(2-aminoethylamino)phenyl]ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122485163
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
N-[(1S)-1-[4-(2-methylpropylamino)phenyl]ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122485164
N-(1-pyridin-2-ylethyl)-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 174235348
N-[1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 174237650
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
CID 122445665
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide;methyl (2R)-3-phenyl-2-[3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanoylamino]propanoate
CID 159928105
(3R)-4-hydroxy-2-methyl-3-phenyl-2-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylbutanamide
CID 140836337

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide?
The IUPAC name of (3R)-3-(4-chlorophenyl)-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide (CID 140836306) is (3R)-3-(4-chlorophenyl)-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide is C[C@@H](c1ccc(Cl)cc1)C(Cc1nc2cccnc2n1Cc1ccc(OC(F)(F)F)cc1)C(N)=O.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide?
The InChIKey is QGUCRDRSXRXIOF-OOJLDXBWSA-N. The full InChI is InChI=1S/C25H22ClF3N4O2/c1-15(17-6-8-18(26)9-7-17)20(23(30)34)13-22-32-21-3-2-12-31-24(21)33(22)14-16-4-10-19(11-5-16)35-25(27,28)29/h2-12,15,20H,13-14H2,1H3,(H2,30,34)/t15-,20?/m0/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide?
(3R)-3-(4-chlorophenyl)-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide has a molecular weight of 502.92 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-2-[[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]methyl]butanamide is sourced from PubChem (CID 140836306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).