1-cyclopropyl-N-(2-methoxyethylsulfonyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide

C24H29N5O5S — CID 126742440

IUPAC1-cyclopropyl-N-(2-methoxyethylsulfonyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCOCCS(=O)(=O)NC(=O)c1cc(-c2ccc(N3CCOCC3)cc2)c2c(C)nn(C3CC3)c2n1
InChIInChI=1S/C24H29N5O5S/c1-16-22-20(17-3-5-18(6-4-17)28-9-11-34-12-10-28)15-21(24(30)27-35(31,32)14-13-33-2)25-23(22)29(26-16)19-7-8-19/h3-6,15,19H,7-14H2,1-2H3,(H,27,30)
InChIKeyIUMDURCHOXJFNQ-UHFFFAOYSA-N
MW499.59 g/mol
LogP2.28
Rot. Bonds8

About 1-cyclopropyl-N-(2-methoxyethylsulfonyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide

1-cyclopropyl-N-(2-methoxyethylsulfonyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 126742440) has the molecular formula C24H29N5O5S and a molecular weight of 499.59 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2-methoxyethylsulfonyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(2-methoxyethylsulfonyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID126742440
Molecular FormulaC24H29N5O5S
Molecular Weight499.59 g/mol
Exact Mass499.19
IUPAC Name1-cyclopropyl-N-(2-methoxyethylsulfonyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCOCCS(=O)(=O)NC(=O)c1cc(-c2ccc(N3CCOCC3)cc2)c2c(C)nn(C3CC3)c2n1
InChIInChI=1S/C24H29N5O5S/c1-16-22-20(17-3-5-18(6-4-17)28-9-11-34-12-10-28)15-21(24(30)27-35(31,32)14-13-33-2)25-23(22)29(26-16)19-7-8-19/h3-6,15,19H,7-14H2,1-2H3,(H,27,30)
InChIKeyIUMDURCHOXJFNQ-UHFFFAOYSA-N
XLogP2.28
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-cyclohexyl-N-cyclopropylsulfonyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742748
1-cyclohexyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741501
N-ethylsulfonyl-1-(3-methoxyphenyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742646
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-cyclopropylsulfonyl-4-(4-morpholin-4-ylphenyl)-1-phenyl-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742636
N-(2-methoxyethylsulfonyl)-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-morpholin-4-yl-4-pyridinyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741630
ethyl 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126742917
3-cyclobutyl-N-(2-methoxyethylsulfonyl)-4-(4-methoxypiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741831
1-(3-chloro-4-methylphenyl)-4-(4-methoxyphenyl)-3-methyl-N-methylsulfonylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741829
N-methylsulfonyl-4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742730
1-cyclohexyl-4-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-propan-2-yloxypyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126742338

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2-methoxyethylsulfonyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(2-methoxyethylsulfonyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide (CID 126742440) is 1-cyclopropyl-N-(2-methoxyethylsulfonyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(2-methoxyethylsulfonyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(2-methoxyethylsulfonyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide is COCCS(=O)(=O)NC(=O)c1cc(-c2ccc(N3CCOCC3)cc2)c2c(C)nn(C3CC3)c2n1.
What is the InChIKey of 1-cyclopropyl-N-(2-methoxyethylsulfonyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is IUMDURCHOXJFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5S/c1-16-22-20(17-3-5-18(6-4-17)28-9-11-34-12-10-28)15-21(24(30)27-35(31,32)14-13-33-2)25-23(22)29(26-16)19-7-8-19/h3-6,15,19H,7-14H2,1-2H3,(H,27,30).
What are the key properties of 1-cyclopropyl-N-(2-methoxyethylsulfonyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide?
1-cyclopropyl-N-(2-methoxyethylsulfonyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 499.59 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2-methoxyethylsulfonyl)-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 126742440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).