N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide

C21H23FN4O2 — CID 130361391

IUPACN-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide
SMILESCC(C)(O)c1ccc2nc(NC(=O)Cc3ccc(F)cc3)n(C3CCC3)c2n1
InChIInChI=1S/C21H23FN4O2/c1-21(2,28)17-11-10-16-19(24-17)26(15-4-3-5-15)20(23-16)25-18(27)12-13-6-8-14(22)9-7-13/h6-11,15,28H,3-5,12H2,1-2H3,(H,23,25,27)
InChIKeySKVRQCOWWTUJKL-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.70
Rot. Bonds5

About N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide

N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 130361391) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide
PubChem CID130361391
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC NameN-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide
SMILESCC(C)(O)c1ccc2nc(NC(=O)Cc3ccc(F)cc3)n(C3CCC3)c2n1
InChIInChI=1S/C21H23FN4O2/c1-21(2,28)17-11-10-16-19(24-17)26(15-4-3-5-15)20(23-16)25-18(27)12-13-6-8-14(22)9-7-13/h6-11,15,28H,3-5,12H2,1-2H3,(H,23,25,27)
InChIKeySKVRQCOWWTUJKL-UHFFFAOYSA-N
XLogP3.70
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide (CID 130361391) is N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide is CC(C)(O)c1ccc2nc(NC(=O)Cc3ccc(F)cc3)n(C3CCC3)c2n1.
What is the InChIKey of N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is SKVRQCOWWTUJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-21(2,28)17-11-10-16-19(24-17)26(15-4-3-5-15)20(23-16)25-18(27)12-13-6-8-14(22)9-7-13/h6-11,15,28H,3-5,12H2,1-2H3,(H,23,25,27).
What are the key properties of N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide?
N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 382.44 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 130361391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).