3-methyl-1-(4-methylphenyl)-6-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C31H29N5O3S — CID 2551666

IUPAC3-methyl-1-(4-methylphenyl)-6-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-n2nc(C)c3c(C(=O)Nc4ccc(S(=O)(=O)N5CCCC5)cc4)cc(-c4ccccc4)nc32)cc1
InChIInChI=1S/C31H29N5O3S/c1-21-10-14-25(15-11-21)36-30-29(22(2)34-36)27(20-28(33-30)23-8-4-3-5-9-23)31(37)32-24-12-16-26(17-13-24)40(38,39)35-18-6-7-19-35/h3-5,8-17,20H,6-7,18-19H2,1-2H3,(H,32,37)
InChIKeyAKUSKCUAYGLNOS-UHFFFAOYSA-N
MW551.67 g/mol
LogP5.74
Rot. Bonds6

About 3-methyl-1-(4-methylphenyl)-6-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide

3-methyl-1-(4-methylphenyl)-6-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 2551666) has the molecular formula C31H29N5O3S and a molecular weight of 551.67 g/mol. Its IUPAC name is 3-methyl-1-(4-methylphenyl)-6-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-1-(4-methylphenyl)-6-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID2551666
Molecular FormulaC31H29N5O3S
Molecular Weight551.67 g/mol
Exact Mass551.20
IUPAC Name3-methyl-1-(4-methylphenyl)-6-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-n2nc(C)c3c(C(=O)Nc4ccc(S(=O)(=O)N5CCCC5)cc4)cc(-c4ccccc4)nc32)cc1
InChIInChI=1S/C31H29N5O3S/c1-21-10-14-25(15-11-21)36-30-29(22(2)34-36)27(20-28(33-30)23-8-4-3-5-9-23)31(37)32-24-12-16-26(17-13-24)40(38,39)35-18-6-7-19-35/h3-5,8-17,20H,6-7,18-19H2,1-2H3,(H,32,37)
InChIKeyAKUSKCUAYGLNOS-UHFFFAOYSA-N
XLogP5.74
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.67
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-(4-methylphenyl)-N-methylsulfonyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 146154556
3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927948
N-[4-(azepan-1-ylsulfonyl)phenyl]-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995458
4-methyl-2-phenyl-N-(4-piperidin-1-ylsulfonylphenyl)pyrimidine-5-carboxamide
CID 112770537
N-[4-(cyclopropanecarbonylamino)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26064895
3,6-dimethyl-4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 42675816
N-[4-(1H-benzimidazol-2-yl)phenyl]-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20901411
3-methyl-1-(4-methylphenyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 2414322
2-methyl-6-phenyl-N-(3-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 27006276
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dimethylbenzamide
CID 26931358
N-(4-bromophenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863859
N-[3-(benzenesulfonamido)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55721310

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylphenyl)-6-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-1-(4-methylphenyl)-6-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 2551666) is 3-methyl-1-(4-methylphenyl)-6-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-1-(4-methylphenyl)-6-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-1-(4-methylphenyl)-6-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(-n2nc(C)c3c(C(=O)Nc4ccc(S(=O)(=O)N5CCCC5)cc4)cc(-c4ccccc4)nc32)cc1.
What is the InChIKey of 3-methyl-1-(4-methylphenyl)-6-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is AKUSKCUAYGLNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5O3S/c1-21-10-14-25(15-11-21)36-30-29(22(2)34-36)27(20-28(33-30)23-8-4-3-5-9-23)31(37)32-24-12-16-26(17-13-24)40(38,39)35-18-6-7-19-35/h3-5,8-17,20H,6-7,18-19H2,1-2H3,(H,32,37).
What are the key properties of 3-methyl-1-(4-methylphenyl)-6-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
3-methyl-1-(4-methylphenyl)-6-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 551.67 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylphenyl)-6-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 2551666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).