1-cyclohexyl-N-cyclopropylsulfonyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide

C27H33N5O4S — CID 126742748

IUPAC1-cyclohexyl-N-cyclopropylsulfonyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCc1nn(C2CCCCC2)c2nc(C(=O)NS(=O)(=O)C3CC3)cc(-c3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C27H33N5O4S/c1-18-25-23(19-7-9-20(10-8-19)31-13-15-36-16-14-31)17-24(27(33)30-37(34,35)22-11-12-22)28-26(25)32(29-18)21-5-3-2-4-6-21/h7-10,17,21-22H,2-6,11-16H2,1H3,(H,30,33)
InChIKeyNAVMBGAIFRDIEP-UHFFFAOYSA-N
MW523.66 g/mol
LogP3.97
Rot. Bonds6

About 1-cyclohexyl-N-cyclopropylsulfonyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide

1-cyclohexyl-N-cyclopropylsulfonyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 126742748) has the molecular formula C27H33N5O4S and a molecular weight of 523.66 g/mol. Its IUPAC name is 1-cyclohexyl-N-cyclopropylsulfonyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-cyclopropylsulfonyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID126742748
Molecular FormulaC27H33N5O4S
Molecular Weight523.66 g/mol
Exact Mass523.23
IUPAC Name1-cyclohexyl-N-cyclopropylsulfonyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCc1nn(C2CCCCC2)c2nc(C(=O)NS(=O)(=O)C3CC3)cc(-c3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C27H33N5O4S/c1-18-25-23(19-7-9-20(10-8-19)31-13-15-36-16-14-31)17-24(27(33)30-37(34,35)22-11-12-22)28-26(25)32(29-18)21-5-3-2-4-6-21/h7-10,17,21-22H,2-6,11-16H2,1H3,(H,30,33)
InChIKeyNAVMBGAIFRDIEP-UHFFFAOYSA-N
XLogP3.97
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.66
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-cyclohexyl-N-cyclopropylsulfonyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide with MolForge

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Related Compounds

1-cyclohexyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741501
1-cyclopropyl-N-(2-methoxyethylsulfonyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742440
N-cyclopropylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742636
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-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743142
N-ethylsulfonyl-1-(3-methoxyphenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742646
1-cyclohexyl-4-[6-(dimethylamino)-3-pyridinyl]-3-methylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743543
1-cyclohexyl-3-propan-2-yloxy-4-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742627
1-cyclohexyl-4-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742338
4-[4-(4-cyanopiperidin-1-yl)phenyl]-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742668
3-cyclobutyl-1-(3-fluoro-4-methylphenyl)-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742814
1-cyclohexyl-4-[4-[4-(dimethylamino)piperidine-1-carbonyl]phenyl]-N-(dimethylsulfamoyl)-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741353

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-cyclopropylsulfonyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 1-cyclohexyl-N-cyclopropylsulfonyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide (CID 126742748) is 1-cyclohexyl-N-cyclopropylsulfonyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-cyclopropylsulfonyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-cyclopropylsulfonyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide is Cc1nn(C2CCCCC2)c2nc(C(=O)NS(=O)(=O)C3CC3)cc(-c3ccc(N4CCOCC4)cc3)c12.
What is the InChIKey of 1-cyclohexyl-N-cyclopropylsulfonyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is NAVMBGAIFRDIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4S/c1-18-25-23(19-7-9-20(10-8-19)31-13-15-36-16-14-31)17-24(27(33)30-37(34,35)22-11-12-22)28-26(25)32(29-18)21-5-3-2-4-6-21/h7-10,17,21-22H,2-6,11-16H2,1H3,(H,30,33).
What are the key properties of 1-cyclohexyl-N-cyclopropylsulfonyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide?
1-cyclohexyl-N-cyclopropylsulfonyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 523.66 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-cyclopropylsulfonyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 126742748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).