3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-(4-propan-2-yloxypiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide

C26H33N5O4S — CID 126741570

IUPAC3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-(4-propan-2-yloxypiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCC(C)OC1CCN(c2cc(C(=O)NS(C)(=O)=O)nc3c2c(C2CCC2)nn3-c2ccccc2)CC1
InChIInChI=1S/C26H33N5O4S/c1-17(2)35-20-12-14-30(15-13-20)22-16-21(26(32)29-36(3,33)34)27-25-23(22)24(18-8-7-9-18)28-31(25)19-10-5-4-6-11-19/h4-6,10-11,16-18,20H,7-9,12-15H2,1-3H3,(H,29,32)
InChIKeyIAONJSWGQLVGBX-UHFFFAOYSA-N
MW511.65 g/mol
LogP3.77
Rot. Bonds7

About 3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-(4-propan-2-yloxypiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide

3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-(4-propan-2-yloxypiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 126741570) has the molecular formula C26H33N5O4S and a molecular weight of 511.65 g/mol. Its IUPAC name is 3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-(4-propan-2-yloxypiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-(4-propan-2-yloxypiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID126741570
Molecular FormulaC26H33N5O4S
Molecular Weight511.65 g/mol
Exact Mass511.23
IUPAC Name3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-(4-propan-2-yloxypiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCC(C)OC1CCN(c2cc(C(=O)NS(C)(=O)=O)nc3c2c(C2CCC2)nn3-c2ccccc2)CC1
InChIInChI=1S/C26H33N5O4S/c1-17(2)35-20-12-14-30(15-13-20)22-16-21(26(32)29-36(3,33)34)27-25-23(22)24(18-8-7-9-18)28-31(25)19-10-5-4-6-11-19/h4-6,10-11,16-18,20H,7-9,12-15H2,1-3H3,(H,29,32)
InChIKeyIAONJSWGQLVGBX-UHFFFAOYSA-N
XLogP3.77
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.65
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-cyclobutyl-4-[4-(2-methoxyethyl)piperidin-1-yl]-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742580
3-cyclobutyl-N-(2-methoxyethylsulfonyl)-4-(4-methoxypiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741831
4-(2-azaspiro[3.4]octan-2-yl)-3-cyclobutyl-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742632
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-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-N-cyclopropylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741589
3-cyclobutyl-N-[2-(dimethylamino)ethylsulfonyl]-4-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742201
benzyl 4-[[3-cyclobutyl-4-(4-methoxypiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carbonyl]sulfamoyl]piperidine-1-carboxylate
CID 126742855
methyl 3-cyclobutyl-1-phenyl-4-piperidin-1-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 126741500
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
3-cyclobutyl-N-(1,2-dimethylimidazol-4-yl)sulfonyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741984
3-cyclobutyl-4-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741573

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-(4-propan-2-yloxypiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-(4-propan-2-yloxypiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide (CID 126741570) is 3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-(4-propan-2-yloxypiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-(4-propan-2-yloxypiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-(4-propan-2-yloxypiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide is CC(C)OC1CCN(c2cc(C(=O)NS(C)(=O)=O)nc3c2c(C2CCC2)nn3-c2ccccc2)CC1.
What is the InChIKey of 3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-(4-propan-2-yloxypiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is IAONJSWGQLVGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4S/c1-17(2)35-20-12-14-30(15-13-20)22-16-21(26(32)29-36(3,33)34)27-25-23(22)24(18-8-7-9-18)28-31(25)19-10-5-4-6-11-19/h4-6,10-11,16-18,20H,7-9,12-15H2,1-3H3,(H,29,32).
What are the key properties of 3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-(4-propan-2-yloxypiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide?
3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-(4-propan-2-yloxypiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 511.65 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-methylsulfonyl-1-phenyl-4-(4-propan-2-yloxypiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 126741570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).