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

C22H25FN4O2 — CID 130359834

IUPACN-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluoro-3-methylphenyl)acetamide
SMILESCc1cc(CC(=O)Nc2nc3ccc(C(C)(C)O)nc3n2C2CCC2)ccc1F
InChIInChI=1S/C22H25FN4O2/c1-13-11-14(7-8-16(13)23)12-19(28)26-21-24-17-9-10-18(22(2,3)29)25-20(17)27(21)15-5-4-6-15/h7-11,15,29H,4-6,12H2,1-3H3,(H,24,26,28)
InChIKeyFFTFTVQIXRTPHQ-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.01
Rot. Bonds5

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

N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluoro-3-methylphenyl)acetamide (PubChem CID 130359834) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluoro-3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluoro-3-methylphenyl)acetamide
PubChem CID130359834
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC NameN-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluoro-3-methylphenyl)acetamide
SMILESCc1cc(CC(=O)Nc2nc3ccc(C(C)(C)O)nc3n2C2CCC2)ccc1F
InChIInChI=1S/C22H25FN4O2/c1-13-11-14(7-8-16(13)23)12-19(28)26-21-24-17-9-10-18(22(2,3)29)25-20(17)27(21)15-5-4-6-15/h7-11,15,29H,4-6,12H2,1-3H3,(H,24,26,28)
InChIKeyFFTFTVQIXRTPHQ-UHFFFAOYSA-N
XLogP4.01
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.01
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-fluoro-3-methylphenyl)acetamide?
The IUPAC name of N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluoro-3-methylphenyl)acetamide (CID 130359834) is N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluoro-3-methylphenyl)acetamide.
What is the SMILES notation for N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluoro-3-methylphenyl)acetamide?
The canonical SMILES for N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluoro-3-methylphenyl)acetamide is Cc1cc(CC(=O)Nc2nc3ccc(C(C)(C)O)nc3n2C2CCC2)ccc1F.
What is the InChIKey of N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluoro-3-methylphenyl)acetamide?
The InChIKey is FFTFTVQIXRTPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-13-11-14(7-8-16(13)23)12-19(28)26-21-24-17-9-10-18(22(2,3)29)25-20(17)27(21)15-5-4-6-15/h7-11,15,29H,4-6,12H2,1-3H3,(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-(4-fluoro-3-methylphenyl)acetamide?
N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2-(4-fluoro-3-methylphenyl)acetamide has a molecular weight of 396.47 g/mol, XLogP of 4.01, 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-fluoro-3-methylphenyl)acetamide is sourced from PubChem (CID 130359834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).