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

C21H22F2N4O2 — CID 130361395

IUPACN-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,4-difluorophenyl)acetamide
SMILESCC(C)(O)c1ccc2nc(NC(=O)Cc3ccc(F)c(F)c3)n(C3CCC3)c2n1
InChIInChI=1S/C21H22F2N4O2/c1-21(2,29)17-9-8-16-19(25-17)27(13-4-3-5-13)20(24-16)26-18(28)11-12-6-7-14(22)15(23)10-12/h6-10,13,29H,3-5,11H2,1-2H3,(H,24,26,28)
InChIKeyIRVZUEAQJVMRAI-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.84
Rot. Bonds5

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

N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,4-difluorophenyl)acetamide (PubChem CID 130361395) has the molecular formula C21H22F2N4O2 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,4-difluorophenyl)acetamide
PubChem CID130361395
Molecular FormulaC21H22F2N4O2
Molecular Weight400.43 g/mol
Exact Mass400.17
IUPAC NameN-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,4-difluorophenyl)acetamide
SMILESCC(C)(O)c1ccc2nc(NC(=O)Cc3ccc(F)c(F)c3)n(C3CCC3)c2n1
InChIInChI=1S/C21H22F2N4O2/c1-21(2,29)17-9-8-16-19(25-17)27(13-4-3-5-13)20(24-16)26-18(28)11-12-6-7-14(22)15(23)10-12/h6-10,13,29H,3-5,11H2,1-2H3,(H,24,26,28)
InChIKeyIRVZUEAQJVMRAI-UHFFFAOYSA-N
XLogP3.84
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.84
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-(3,4-difluorophenyl)acetamide?
The IUPAC name of N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,4-difluorophenyl)acetamide (CID 130361395) is N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,4-difluorophenyl)acetamide?
The canonical SMILES for N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,4-difluorophenyl)acetamide is CC(C)(O)c1ccc2nc(NC(=O)Cc3ccc(F)c(F)c3)n(C3CCC3)c2n1.
What is the InChIKey of N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,4-difluorophenyl)acetamide?
The InChIKey is IRVZUEAQJVMRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O2/c1-21(2,29)17-9-8-16-19(25-17)27(13-4-3-5-13)20(24-16)26-18(28)11-12-6-7-14(22)15(23)10-12/h6-10,13,29H,3-5,11H2,1-2H3,(H,24,26,28).
What are the key properties of N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,4-difluorophenyl)acetamide?
N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(3,4-difluorophenyl)acetamide has a molecular weight of 400.43 g/mol, XLogP of 3.84, 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-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 130361395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).