(3S)-N-[3-cyclobutyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide

C21H21F3N4O2 — CID 130361344

IUPAC(3S)-N-[3-cyclobutyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
SMILESC[C@](O)(CC(=O)Nc1nc2c(C(F)(F)F)ccnc2n1C1CCC1)c1ccccc1
InChIInChI=1S/C21H21F3N4O2/c1-20(30,13-6-3-2-4-7-13)12-16(29)26-19-27-17-15(21(22,23)24)10-11-25-18(17)28(19)14-8-5-9-14/h2-4,6-7,10-11,14,30H,5,8-9,12H2,1H3,(H,26,27,29)/t20-/m0/s1
InChIKeyFXGGQZVLSHQWAP-FQEVSTJZSA-N
MW418.42 g/mol
LogP4.41
Rot. Bonds5

About (3S)-N-[3-cyclobutyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide

(3S)-N-[3-cyclobutyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide (PubChem CID 130361344) has the molecular formula C21H21F3N4O2 and a molecular weight of 418.42 g/mol. Its IUPAC name is (3S)-N-[3-cyclobutyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound Name(3S)-N-[3-cyclobutyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
PubChem CID130361344
Molecular FormulaC21H21F3N4O2
Molecular Weight418.42 g/mol
Exact Mass418.16
IUPAC Name(3S)-N-[3-cyclobutyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide
SMILESC[C@](O)(CC(=O)Nc1nc2c(C(F)(F)F)ccnc2n1C1CCC1)c1ccccc1
InChIInChI=1S/C21H21F3N4O2/c1-20(30,13-6-3-2-4-7-13)12-16(29)26-19-27-17-15(21(22,23)24)10-11-25-18(17)28(19)14-8-5-9-14/h2-4,6-7,10-11,14,30H,5,8-9,12H2,1H3,(H,26,27,29)/t20-/m0/s1
InChIKeyFXGGQZVLSHQWAP-FQEVSTJZSA-N
XLogP4.41
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 54.41
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-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide?
The IUPAC name of (3S)-N-[3-cyclobutyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide (CID 130361344) is (3S)-N-[3-cyclobutyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for (3S)-N-[3-cyclobutyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for (3S)-N-[3-cyclobutyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide is C[C@](O)(CC(=O)Nc1nc2c(C(F)(F)F)ccnc2n1C1CCC1)c1ccccc1.
What is the InChIKey of (3S)-N-[3-cyclobutyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide?
The InChIKey is FXGGQZVLSHQWAP-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H21F3N4O2/c1-20(30,13-6-3-2-4-7-13)12-16(29)26-19-27-17-15(21(22,23)24)10-11-25-18(17)28(19)14-8-5-9-14/h2-4,6-7,10-11,14,30H,5,8-9,12H2,1H3,(H,26,27,29)/t20-/m0/s1.
What are the key properties of (3S)-N-[3-cyclobutyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide?
(3S)-N-[3-cyclobutyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide has a molecular weight of 418.42 g/mol, XLogP of 4.41, 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-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 130361344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).