3-hydroxy-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylbutanamide

C21H23F3N4O2 — CID 137393661

IUPAC3-hydroxy-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylbutanamide
SMILESCC(C)Cn1c(NC(=O)CC(C)(O)c2ccccc2)nc2ccc(C(F)(F)F)nc21
InChIInChI=1S/C21H23F3N4O2/c1-13(2)12-28-18-15(9-10-16(26-18)21(22,23)24)25-19(28)27-17(29)11-20(3,30)14-7-5-4-6-8-14/h4-10,13,30H,11-12H2,1-3H3,(H,25,27,29)
InChIKeyBFSPCPHKVDFTBV-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.34
Rot. Bonds6

About 3-hydroxy-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylbutanamide

3-hydroxy-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylbutanamide (PubChem CID 137393661) has the molecular formula C21H23F3N4O2 and a molecular weight of 420.44 g/mol. Its IUPAC name is 3-hydroxy-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylbutanamide
PubChem CID137393661
Molecular FormulaC21H23F3N4O2
Molecular Weight420.44 g/mol
Exact Mass420.18
IUPAC Name3-hydroxy-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylbutanamide
SMILESCC(C)Cn1c(NC(=O)CC(C)(O)c2ccccc2)nc2ccc(C(F)(F)F)nc21
InChIInChI=1S/C21H23F3N4O2/c1-13(2)12-28-18-15(9-10-16(26-18)21(22,23)24)25-19(28)27-17(29)11-20(3,30)14-7-5-4-6-8-14/h4-10,13,30H,11-12H2,1-3H3,(H,25,27,29)
InChIKeyBFSPCPHKVDFTBV-UHFFFAOYSA-N
XLogP4.34
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3,4,4-trimethylpentanamide
CID 130361396
3-hydroxy-N-[3-(1-methoxy-2-methylpropan-2-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-methylbutanamide
CID 130361213
N-[3-tert-butyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-5,5,5-trifluoro-3-hydroxy-3-methylpentanamide
CID 130361770
N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 90448058
(3S)-N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
CID 130359652
N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
CID 137393658
4,4,4-trifluoro-N-[3-(4-fluorophenyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 130361336
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-phenylbutanamide
CID 130359620
(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
CID 130359666
(3R)-3-cyclopropyl-3-hydroxy-N-[3-(1-methylcyclobutyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]butanamide
CID 130361425
(3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpropanamide
CID 130361317
N-[5-chloro-3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;(3R)-N-[5-chloro-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3R)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-pyridin-2-ylbutanamide;bis((3R)-N-[3,5-di(cyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide);N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide
CID 158987889

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylbutanamide?
The IUPAC name of 3-hydroxy-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylbutanamide (CID 137393661) is 3-hydroxy-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylbutanamide.
What is the SMILES notation for 3-hydroxy-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylbutanamide?
The canonical SMILES for 3-hydroxy-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylbutanamide is CC(C)Cn1c(NC(=O)CC(C)(O)c2ccccc2)nc2ccc(C(F)(F)F)nc21.
What is the InChIKey of 3-hydroxy-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylbutanamide?
The InChIKey is BFSPCPHKVDFTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O2/c1-13(2)12-28-18-15(9-10-16(26-18)21(22,23)24)25-19(28)27-17(29)11-20(3,30)14-7-5-4-6-8-14/h4-10,13,30H,11-12H2,1-3H3,(H,25,27,29).
What are the key properties of 3-hydroxy-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylbutanamide?
3-hydroxy-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylbutanamide has a molecular weight of 420.44 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[3-(2-methylpropyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-phenylbutanamide is sourced from PubChem (CID 137393661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).