2-cyclobutyl-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]acetamide

C21H23FN4O — CID 142486961

IUPAC2-cyclobutyl-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]acetamide
SMILESCC(C)c1cnc2nn(-c3cc(NC(=O)CC4CCC4)ccc3F)cc2c1
InChIInChI=1S/C21H23FN4O/c1-13(2)15-9-16-12-26(25-21(16)23-11-15)19-10-17(6-7-18(19)22)24-20(27)8-14-4-3-5-14/h6-7,9-14H,3-5,8H2,1-2H3,(H,24,27)
InChIKeyJYJKXMSLSUQOSX-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.81
Rot. Bonds5

About 2-cyclobutyl-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]acetamide

2-cyclobutyl-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]acetamide (PubChem CID 142486961) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-cyclobutyl-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]acetamide
PubChem CID142486961
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name2-cyclobutyl-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]acetamide
SMILESCC(C)c1cnc2nn(-c3cc(NC(=O)CC4CCC4)ccc3F)cc2c1
InChIInChI=1S/C21H23FN4O/c1-13(2)15-9-16-12-26(25-21(16)23-11-15)19-10-17(6-7-18(19)22)24-20(27)8-14-4-3-5-14/h6-7,9-14H,3-5,8H2,1-2H3,(H,24,27)
InChIKeyJYJKXMSLSUQOSX-UHFFFAOYSA-N
XLogP4.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-3,3-dimethylbutanamide
CID 142487172
2,2-difluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]cyclopropane-1-carboxamide
CID 142487091
3-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]-1,1-bis(trideuteriomethyl)urea
CID 150693575
5-fluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 137352918
N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]pyrazine-2-carboxamide
CID 137353259
3,5-difluoro-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]pyridine-2-carboxamide
CID 137353120
methyl 2-[[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]carbamoyl]cubane-1-carboxylate
CID 146465785
N-[3-[5-(cyclobutylmethyl)pyrazolo[3,4-b]pyridin-2-yl]-4-fluorophenyl]azetidine-1-carboxamide
CID 142487124
propan-2-yl N-[2-(2-fluoro-5-formamidophenyl)pyrazolo[3,4-b]pyridin-5-yl]carbamate
CID 167133669
2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 11839703
N-[3-(5-chloropyrazolo[3,4-b]pyridin-2-yl)-4-fluorophenyl]-3-fluoroazetidine-1-carboxamide
CID 142487033
N-[3-(5-cyclohexylpyrazolo[3,4-b]pyridin-2-yl)-4-fluorophenyl]furan-2-carboxamide
CID 137352263

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]acetamide?
The IUPAC name of 2-cyclobutyl-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]acetamide (CID 142486961) is 2-cyclobutyl-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-cyclobutyl-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-cyclobutyl-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]acetamide is CC(C)c1cnc2nn(-c3cc(NC(=O)CC4CCC4)ccc3F)cc2c1.
What is the InChIKey of 2-cyclobutyl-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]acetamide?
The InChIKey is JYJKXMSLSUQOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-13(2)15-9-16-12-26(25-21(16)23-11-15)19-10-17(6-7-18(19)22)24-20(27)8-14-4-3-5-14/h6-7,9-14H,3-5,8H2,1-2H3,(H,24,27).
What are the key properties of 2-cyclobutyl-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]acetamide?
2-cyclobutyl-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]acetamide has a molecular weight of 366.44 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[4-fluoro-3-(5-propan-2-ylpyrazolo[3,4-b]pyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 142486961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).