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

C20H19F3N4O2 — CID 130361317

IUPAC(3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpropanamide
SMILESO=C(C[C@H](O)c1ccccc1)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)16-10-9-14-18(25-16)27(13-7-4-8-13)19(24-14)26-17(29)11-15(28)12-5-2-1-3-6-12/h1-3,5-6,9-10,13,15,28H,4,7-8,11H2,(H,24,26,29)/t15-/m0/s1
InChIKeyPNWHNERDSRNPRD-HNNXBMFYSA-N
MW404.39 g/mol
LogP4.24
Rot. Bonds5

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

(3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpropanamide (PubChem CID 130361317) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is (3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpropanamide
PubChem CID130361317
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name(3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpropanamide
SMILESO=C(C[C@H](O)c1ccccc1)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)16-10-9-14-18(25-16)27(13-7-4-8-13)19(24-14)26-17(29)11-15(28)12-5-2-1-3-6-12/h1-3,5-6,9-10,13,15,28H,4,7-8,11H2,(H,24,26,29)/t15-/m0/s1
InChIKeyPNWHNERDSRNPRD-HNNXBMFYSA-N
XLogP4.24
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.24
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-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpropanamide?
The IUPAC name of (3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpropanamide (CID 130361317) is (3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpropanamide.
What is the SMILES notation for (3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpropanamide?
The canonical SMILES for (3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpropanamide is O=C(C[C@H](O)c1ccccc1)Nc1nc2ccc(C(F)(F)F)nc2n1C1CCC1.
What is the InChIKey of (3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpropanamide?
The InChIKey is PNWHNERDSRNPRD-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c21-20(22,23)16-10-9-14-18(25-16)27(13-7-4-8-13)19(24-14)26-17(29)11-15(28)12-5-2-1-3-6-12/h1-3,5-6,9-10,13,15,28H,4,7-8,11H2,(H,24,26,29)/t15-/m0/s1.
What are the key properties of (3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpropanamide?
(3S)-N-[3-cyclobutyl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpropanamide has a molecular weight of 404.39 g/mol, XLogP of 4.24, 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-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 130361317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).