N-tert-butylsulfonyl-3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide

C27H34N4O5S — CID 126742680

IUPACN-tert-butylsulfonyl-3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cc(OCC2CCOCC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C27H34N4O5S/c1-27(2,3)37(33,34)30-26(32)21-16-22(36-17-18-12-14-35-15-13-18)23-24(19-8-7-9-19)29-31(25(23)28-21)20-10-5-4-6-11-20/h4-6,10-11,16,18-19H,7-9,12-15,17H2,1-3H3,(H,30,32)
InChIKeyXXSZTCJQZLFYFN-UHFFFAOYSA-N
MW526.66 g/mol
LogP4.35
Rot. Bonds7

About N-tert-butylsulfonyl-3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide

N-tert-butylsulfonyl-3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 126742680) has the molecular formula C27H34N4O5S and a molecular weight of 526.66 g/mol. Its IUPAC name is N-tert-butylsulfonyl-3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-tert-butylsulfonyl-3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID126742680
Molecular FormulaC27H34N4O5S
Molecular Weight526.66 g/mol
Exact Mass526.22
IUPAC NameN-tert-butylsulfonyl-3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCC(C)(C)S(=O)(=O)NC(=O)c1cc(OCC2CCOCC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1
InChIInChI=1S/C27H34N4O5S/c1-27(2,3)37(33,34)30-26(32)21-16-22(36-17-18-12-14-35-15-13-18)23-24(19-8-7-9-19)29-31(25(23)28-21)20-10-5-4-6-11-20/h4-6,10-11,16,18-19H,7-9,12-15,17H2,1-3H3,(H,30,32)
InChIKeyXXSZTCJQZLFYFN-UHFFFAOYSA-N
XLogP4.35
TPSA112.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.66
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-cyclobutyl-N-[methyl(propyl)sulfamoyl]-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741465
3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenyl-N-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742381
3-cyclobutyl-4-[4-(2-methoxyethyl)piperidin-1-yl]-N-methylsulfonyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742580
3-cyclobutyl-4-(2-cyclohexylethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid
CID 126743204
3-cyclobutyl-4-(cyclohexylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;3-cyclobutyl-4-[(1-methoxycarbonylpiperidin-4-yl)methoxy]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;methyl carbonochloridate
CID 159688997
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-N-[2-(dimethylamino)ethylsulfonyl]-4-[4-(methoxymethyl)piperidin-1-yl]-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742201
3-cyclobutyl-N-(2-methoxyethylsulfonyl)-4-(4-methoxypiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741831
3-cyclobutyl-N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126742513
3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-N-(2-phenylmethoxyethylsulfonyl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 129023767
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-methylsulfonyl-1-phenyl-4-(4-propan-2-yloxypiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxamide
CID 126741570

Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfonyl-3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of N-tert-butylsulfonyl-3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide (CID 126742680) is N-tert-butylsulfonyl-3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for N-tert-butylsulfonyl-3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for N-tert-butylsulfonyl-3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide is CC(C)(C)S(=O)(=O)NC(=O)c1cc(OCC2CCOCC2)c2c(C3CCC3)nn(-c3ccccc3)c2n1.
What is the InChIKey of N-tert-butylsulfonyl-3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is XXSZTCJQZLFYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O5S/c1-27(2,3)37(33,34)30-26(32)21-16-22(36-17-18-12-14-35-15-13-18)23-24(19-8-7-9-19)29-31(25(23)28-21)20-10-5-4-6-11-20/h4-6,10-11,16,18-19H,7-9,12-15,17H2,1-3H3,(H,30,32).
What are the key properties of N-tert-butylsulfonyl-3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide?
N-tert-butylsulfonyl-3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 526.66 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfonyl-3-cyclobutyl-4-(oxan-4-ylmethoxy)-1-phenylpyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 126742680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).