N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-phenylbutanamide

C20H20ClFN4O2 — CID 130361385

IUPACN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-phenylbutanamide
SMILESO=C(CC(O)(CF)c1ccccc1)Nc1nc2ccc(Cl)nc2n1C1CCC1
InChIInChI=1S/C20H20ClFN4O2/c21-16-10-9-15-18(24-16)26(14-7-4-8-14)19(23-15)25-17(27)11-20(28,12-22)13-5-2-1-3-6-13/h1-3,5-6,9-10,14,28H,4,7-8,11-12H2,(H,23,25,27)
InChIKeyAFLHEAPADQKCPT-UHFFFAOYSA-N
MW402.86 g/mol
LogP4.00
Rot. Bonds6

About N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-phenylbutanamide

N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-phenylbutanamide (PubChem CID 130361385) has the molecular formula C20H20ClFN4O2 and a molecular weight of 402.86 g/mol. Its IUPAC name is N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-phenylbutanamide
PubChem CID130361385
Molecular FormulaC20H20ClFN4O2
Molecular Weight402.86 g/mol
Exact Mass402.13
IUPAC NameN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-phenylbutanamide
SMILESO=C(CC(O)(CF)c1ccccc1)Nc1nc2ccc(Cl)nc2n1C1CCC1
InChIInChI=1S/C20H20ClFN4O2/c21-16-10-9-15-18(24-16)26(14-7-4-8-14)19(23-15)25-17(27)11-20(28,12-22)13-5-2-1-3-6-13/h1-3,5-6,9-10,14,28H,4,7-8,11-12H2,(H,23,25,27)
InChIKeyAFLHEAPADQKCPT-UHFFFAOYSA-N
XLogP4.00
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-phenylbutanamide (CID 130361385) is N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-phenylbutanamide is O=C(CC(O)(CF)c1ccccc1)Nc1nc2ccc(Cl)nc2n1C1CCC1.
What is the InChIKey of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-phenylbutanamide?
The InChIKey is AFLHEAPADQKCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O2/c21-16-10-9-15-18(24-16)26(14-7-4-8-14)19(23-15)25-17(27)11-20(28,12-22)13-5-2-1-3-6-13/h1-3,5-6,9-10,14,28H,4,7-8,11-12H2,(H,23,25,27).
What are the key properties of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-phenylbutanamide?
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-phenylbutanamide has a molecular weight of 402.86 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-4-fluoro-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 130361385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).