4-(4-cyanopiperidin-1-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide

C24H26N6O3S — CID 126742066

IUPAC4-(4-cyanopiperidin-1-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cc(N2CCC(C#N)CC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C24H26N6O3S/c1-34(32,33)28-24(31)19-14-20(29-12-10-16(15-25)11-13-29)21-22(17-6-5-7-17)27-30(23(21)26-19)18-8-3-2-4-9-18/h2-4,8-9,14,16-17H,5-7,10-13H2,1H3,(H,28,31)
InChIKeyVFXUCFYREUJPRG-UHFFFAOYSA-N
MW478.58 g/mol
LogP3.12
Rot. Bonds5

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

4-(4-cyanopiperidin-1-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 126742066) has the molecular formula C24H26N6O3S and a molecular weight of 478.58 g/mol. Its IUPAC name is 4-(4-cyanopiperidin-1-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-(4-cyanopiperidin-1-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID126742066
Molecular FormulaC24H26N6O3S
Molecular Weight478.58 g/mol
Exact Mass478.18
IUPAC Name4-(4-cyanopiperidin-1-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cc(N2CCC(C#N)CC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C24H26N6O3S/c1-34(32,33)28-24(31)19-14-20(29-12-10-16(15-25)11-13-29)21-22(17-6-5-7-17)27-30(23(21)26-19)18-8-3-2-4-9-18/h2-4,8-9,14,16-17H,5-7,10-13H2,1H3,(H,28,31)
InChIKeyVFXUCFYREUJPRG-UHFFFAOYSA-N
XLogP3.12
TPSA120.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanopiperidin-1-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 4-(4-cyanopiperidin-1-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide (CID 126742066) is 4-(4-cyanopiperidin-1-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 4-(4-cyanopiperidin-1-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 4-(4-cyanopiperidin-1-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide is CS(=O)(=O)NC(=O)c1cc(N2CCC(C#N)CC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1.
What is the InChIKey of 4-(4-cyanopiperidin-1-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is VFXUCFYREUJPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3S/c1-34(32,33)28-24(31)19-14-20(29-12-10-16(15-25)11-13-29)21-22(17-6-5-7-17)27-30(23(21)26-19)18-8-3-2-4-9-18/h2-4,8-9,14,16-17H,5-7,10-13H2,1H3,(H,28,31).
What are the key properties of 4-(4-cyanopiperidin-1-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
4-(4-cyanopiperidin-1-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 478.58 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanopiperidin-1-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 126742066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).