4-(2-azaspiro[3.4]octan-2-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide

C25H29N5O3S — CID 126742632

IUPAC4-(2-azaspiro[3.4]octan-2-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cc(N2CC3(CCCC3)C2)c2c(C3CCC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C25H29N5O3S/c1-34(32,33)28-24(31)19-14-20(29-15-25(16-29)12-5-6-13-25)21-22(17-8-7-9-17)27-30(23(21)26-19)18-10-3-2-4-11-18/h2-4,10-11,14,17H,5-9,12-13,15-16H2,1H3,(H,28,31)
InChIKeyNOEBPAYJYCNECJ-UHFFFAOYSA-N
MW479.61 g/mol
LogP3.76
Rot. Bonds5

About 4-(2-azaspiro[3.4]octan-2-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide

4-(2-azaspiro[3.4]octan-2-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 126742632) has the molecular formula C25H29N5O3S and a molecular weight of 479.61 g/mol. Its IUPAC name is 4-(2-azaspiro[3.4]octan-2-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-(2-azaspiro[3.4]octan-2-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID126742632
Molecular FormulaC25H29N5O3S
Molecular Weight479.61 g/mol
Exact Mass479.20
IUPAC Name4-(2-azaspiro[3.4]octan-2-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cc(N2CC3(CCCC3)C2)c2c(C3CCC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C25H29N5O3S/c1-34(32,33)28-24(31)19-14-20(29-15-25(16-29)12-5-6-13-25)21-22(17-8-7-9-17)27-30(23(21)26-19)18-10-3-2-4-11-18/h2-4,10-11,14,17H,5-9,12-13,15-16H2,1H3,(H,28,31)
InChIKeyNOEBPAYJYCNECJ-UHFFFAOYSA-N
XLogP3.76
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-(4-propan-2-yloxypiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741570
3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741852
3-cyclobutyl-4-[4-(2-methoxyethyl)piperidin-1-yl]-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742580
3-cyclobutyl-4-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-N-cyclopropylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741589
methyl 3-cyclobutyl-4-(5-oxa-2-azaspiro[3.5]nonan-2-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742196
3-cyclobutyl-N-(2-methoxyethylsulfonyl)-4-(4-methoxypiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741831
3-cyclobutyl-4-(4-formylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743494
3-cyclobutyl-4-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743859
methyl 3-cyclobutyl-1-phenyl-4-piperidin-1-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741500
3-cyclobutyl-4-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741573
3-cyclobutyl-4-[4-(2-oxa-7-azaspiro[3.4]octan-7-ylmethyl)piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742975
3-cyclobutyl-1-(4-fluoro-3-methylphenyl)-N-methylsulfonyl-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742998

Frequently Asked Questions

What is the IUPAC name of 4-(2-azaspiro[3.4]octan-2-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 4-(2-azaspiro[3.4]octan-2-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide (CID 126742632) is 4-(2-azaspiro[3.4]octan-2-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 4-(2-azaspiro[3.4]octan-2-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 4-(2-azaspiro[3.4]octan-2-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide is CS(=O)(=O)NC(=O)c1cc(N2CC3(CCCC3)C2)c2c(C3CCC3)nn(-c3ccccc3)c2n1.
What is the InChIKey of 4-(2-azaspiro[3.4]octan-2-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is NOEBPAYJYCNECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3S/c1-34(32,33)28-24(31)19-14-20(29-15-25(16-29)12-5-6-13-25)21-22(17-8-7-9-17)27-30(23(21)26-19)18-10-3-2-4-11-18/h2-4,10-11,14,17H,5-9,12-13,15-16H2,1H3,(H,28,31).
What are the key properties of 4-(2-azaspiro[3.4]octan-2-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
4-(2-azaspiro[3.4]octan-2-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 479.61 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azaspiro[3.4]octan-2-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 126742632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).