3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenyl-N-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylpyrazolo[5,4-b]pyridine-6-carboxamide

C32H42N6O5S — CID 126742381

IUPAC3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenyl-N-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESO=C(NS(=O)(=O)N1CCC(N2CCCC2)CC1)c1cc(OCC2CCOCC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C32H42N6O5S/c39-32(35-44(40,41)37-17-11-25(12-18-37)36-15-4-5-16-36)27-21-28(43-22-23-13-19-42-20-14-23)29-30(24-7-6-8-24)34-38(31(29)33-27)26-9-2-1-3-10-26/h1-3,9-10,21,23-25H,4-8,11-20,22H2,(H,35,39)
InChIKeyRBCIBITYCSWFDX-UHFFFAOYSA-N
MW622.79 g/mol
LogP4.03
Rot. Bonds9

About 3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenyl-N-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylpyrazolo[5,4-b]pyridine-6-carboxamide

3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenyl-N-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylpyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 126742381) has the molecular formula C32H42N6O5S and a molecular weight of 622.79 g/mol. Its IUPAC name is 3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenyl-N-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylpyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenyl-N-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylpyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID126742381
Molecular FormulaC32H42N6O5S
Molecular Weight622.79 g/mol
Exact Mass622.29
IUPAC Name3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenyl-N-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESO=C(NS(=O)(=O)N1CCC(N2CCCC2)CC1)c1cc(OCC2CCOCC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C32H42N6O5S/c39-32(35-44(40,41)37-17-11-25(12-18-37)36-15-4-5-16-36)27-21-28(43-22-23-13-19-42-20-14-23)29-30(24-7-6-8-24)34-38(31(29)33-27)26-9-2-1-3-10-26/h1-3,9-10,21,23-25H,4-8,11-20,22H2,(H,35,39)
InChIKeyRBCIBITYCSWFDX-UHFFFAOYSA-N
XLogP4.03
TPSA118.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500622.79
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-tert-butylsulfonyl-3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742680
3-cyclobutyl-N-[methyl(propyl)sulfamoyl]-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741465
3-cyclobutyl-4-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-N-cyclopropylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741589
1-[3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-2-morpholin-4-ylsulfonylethanone
CID 158361845
3-cyclobutyl-N-ethylsulfanyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 155030055
3-cyclobutyl-N-ethylsulfanyl-1-phenyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 145290583
3-cyclobutyl-4-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126741573
N-[benzyl(methyl)sulfamoyl]-3-cyclobutyl-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742850
3-cyclobutyl-N-(dimethylsulfamoyl)-1-(3-methylphenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742471
3-cyclobutyl-1-(4-fluorophenyl)-4-(4-morpholin-4-ylpiperidin-1-yl)-N-(2,2,2-trifluoroethylsulfonyl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741493
3-cyclobutyl-4-(3-morpholin-4-ylazetidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743622
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

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenyl-N-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylpyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of 3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenyl-N-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylpyrazolo[5,4-b]pyridine-6-carboxamide (CID 126742381) is 3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenyl-N-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylpyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenyl-N-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylpyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for 3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenyl-N-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylpyrazolo[5,4-b]pyridine-6-carboxamide is O=C(NS(=O)(=O)N1CCC(N2CCCC2)CC1)c1cc(OCC2CCOCC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1.
What is the InChIKey of 3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenyl-N-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylpyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is RBCIBITYCSWFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N6O5S/c39-32(35-44(40,41)37-17-11-25(12-18-37)36-15-4-5-16-36)27-21-28(43-22-23-13-19-42-20-14-23)29-30(24-7-6-8-24)34-38(31(29)33-27)26-9-2-1-3-10-26/h1-3,9-10,21,23-25H,4-8,11-20,22H2,(H,35,39).
What are the key properties of 3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenyl-N-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylpyrazolo[5,4-b]pyridine-6-carboxamide?
3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenyl-N-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylpyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 622.79 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenyl-N-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylpyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 126742381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).