1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide

C24H32N6O3S — CID 126742945

IUPAC1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCC(C)c1nn(C2CCCCC2)c2nc(C(=O)NS(C)(=O)=O)cc(-c3ccc(N(C)C)nc3)c12
InChIInChI=1S/C24H32N6O3S/c1-15(2)22-21-18(16-11-12-20(25-14-16)29(3)4)13-19(24(31)28-34(5,32)33)26-23(21)30(27-22)17-9-7-6-8-10-17/h11-15,17H,6-10H2,1-5H3,(H,28,31)
InChIKeyZJWYLWYAUDLFBH-UHFFFAOYSA-N
MW484.63 g/mol
LogP3.88
Rot. Bonds6

About 1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide

1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 126742945) has the molecular formula C24H32N6O3S and a molecular weight of 484.63 g/mol. Its IUPAC name is 1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID126742945
Molecular FormulaC24H32N6O3S
Molecular Weight484.63 g/mol
Exact Mass484.23
IUPAC Name1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCC(C)c1nn(C2CCCCC2)c2nc(C(=O)NS(C)(=O)=O)cc(-c3ccc(N(C)C)nc3)c12
InChIInChI=1S/C24H32N6O3S/c1-15(2)22-21-18(16-11-12-20(25-14-16)29(3)4)13-19(24(31)28-34(5,32)33)26-23(21)30(27-22)17-9-7-6-8-10-17/h11-15,17H,6-10H2,1-5H3,(H,28,31)
InChIKeyZJWYLWYAUDLFBH-UHFFFAOYSA-N
XLogP3.88
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.63
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743543
ethyl 1-cyclohexyl-3-cyclopropyl-4-[6-(dimethylamino)-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741689
1-cyclohexyl-4-[2-(dimethylamino)pyrimidin-5-yl]-N-ethylsulfonyl-3-(1-methylazetidin-3-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 151950572
N-ethylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-(oxan-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742175
1-cyclohexyl-4-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-(dimethylsulfamoyl)-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741353
4-[4-[methyl(oxan-4-yl)amino]phenyl]-N-methylsulfonyl-3-propan-2-yl-1-(3-pyrrolidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742424
1-cyclohexyl-N-cyclopropylsulfonyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742748
ethyl 1-cyclohexyl-4-(2-methylpyrazol-3-yl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743190
3-cyclobutyl-1-cyclohexyl-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742875
3-cyclobutyl-1-cyclohexyl-4-(6-fluoro-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742146
N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742730
ethyl 1-cyclohexyl-4-piperidin-1-yl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126743808

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide (CID 126742945) is 1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide is CC(C)c1nn(C2CCCCC2)c2nc(C(=O)NS(C)(=O)=O)cc(-c3ccc(N(C)C)nc3)c12.
What is the InChIKey of 1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is ZJWYLWYAUDLFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3S/c1-15(2)22-21-18(16-11-12-20(25-14-16)29(3)4)13-19(24(31)28-34(5,32)33)26-23(21)30(27-22)17-9-7-6-8-10-17/h11-15,17H,6-10H2,1-5H3,(H,28,31).
What are the key properties of 1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide?
1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 484.63 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-N-methylsulfonyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 126742945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).