(3S)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(3-fluorophenyl)-3-hydroxybutanamide

C21H20F4N4O2 — CID 130361345

IUPAC(3S)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(3-fluorophenyl)-3-hydroxybutanamide
SMILESC[C@](O)(CC(=O)Nc1nc2cc(C(F)(F)F)cnc2n1C1CCC1)c1cccc(F)c1
InChIInChI=1S/C21H20F4N4O2/c1-20(31,12-4-2-5-14(22)8-12)10-17(30)28-19-27-16-9-13(21(23,24)25)11-26-18(16)29(19)15-6-3-7-15/h2,4-5,8-9,11,15,31H,3,6-7,10H2,1H3,(H,27,28,30)/t20-/m0/s1
InChIKeyJWLXRBMMDLJSAS-FQEVSTJZSA-N
MW436.41 g/mol
LogP4.55
Rot. Bonds5

About (3S)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(3-fluorophenyl)-3-hydroxybutanamide

(3S)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(3-fluorophenyl)-3-hydroxybutanamide (PubChem CID 130361345) has the molecular formula C21H20F4N4O2 and a molecular weight of 436.41 g/mol. Its IUPAC name is (3S)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(3-fluorophenyl)-3-hydroxybutanamide.

Molecular Properties

Compound Name(3S)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(3-fluorophenyl)-3-hydroxybutanamide
PubChem CID130361345
Molecular FormulaC21H20F4N4O2
Molecular Weight436.41 g/mol
Exact Mass436.15
IUPAC Name(3S)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(3-fluorophenyl)-3-hydroxybutanamide
SMILESC[C@](O)(CC(=O)Nc1nc2cc(C(F)(F)F)cnc2n1C1CCC1)c1cccc(F)c1
InChIInChI=1S/C21H20F4N4O2/c1-20(31,12-4-2-5-14(22)8-12)10-17(30)28-19-27-16-9-13(21(23,24)25)11-26-18(16)29(19)15-6-3-7-15/h2,4-5,8-9,11,15,31H,3,6-7,10H2,1H3,(H,27,28,30)/t20-/m0/s1
InChIKeyJWLXRBMMDLJSAS-FQEVSTJZSA-N
XLogP4.55
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(3-fluorophenyl)-3-hydroxybutanamide?
The IUPAC name of (3S)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(3-fluorophenyl)-3-hydroxybutanamide (CID 130361345) is (3S)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(3-fluorophenyl)-3-hydroxybutanamide.
What is the SMILES notation for (3S)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(3-fluorophenyl)-3-hydroxybutanamide?
The canonical SMILES for (3S)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(3-fluorophenyl)-3-hydroxybutanamide is C[C@](O)(CC(=O)Nc1nc2cc(C(F)(F)F)cnc2n1C1CCC1)c1cccc(F)c1.
What is the InChIKey of (3S)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(3-fluorophenyl)-3-hydroxybutanamide?
The InChIKey is JWLXRBMMDLJSAS-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20F4N4O2/c1-20(31,12-4-2-5-14(22)8-12)10-17(30)28-19-27-16-9-13(21(23,24)25)11-26-18(16)29(19)15-6-3-7-15/h2,4-5,8-9,11,15,31H,3,6-7,10H2,1H3,(H,27,28,30)/t20-/m0/s1.
What are the key properties of (3S)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(3-fluorophenyl)-3-hydroxybutanamide?
(3S)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(3-fluorophenyl)-3-hydroxybutanamide has a molecular weight of 436.41 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-cyclobutyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-(3-fluorophenyl)-3-hydroxybutanamide is sourced from PubChem (CID 130361345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).