N-[3-(benzenesulfonamido)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C27H23N5O3S — CID 55721310

IUPACN-[3-(benzenesulfonamido)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cccc(NS(=O)(=O)c4ccccc4)c3)c12
InChIInChI=1S/C27H23N5O3S/c1-18-25-23(17-24(19-10-5-3-6-11-19)29-26(25)32(2)30-18)27(33)28-20-12-9-13-21(16-20)31-36(34,35)22-14-7-4-8-15-22/h3-17,31H,1-2H3,(H,28,33)
InChIKeyVZTJLMCTQNZTLE-UHFFFAOYSA-N
MW497.58 g/mol
LogP5.00
Rot. Bonds6

About N-[3-(benzenesulfonamido)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[3-(benzenesulfonamido)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55721310) has the molecular formula C27H23N5O3S and a molecular weight of 497.58 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55721310
Molecular FormulaC27H23N5O3S
Molecular Weight497.58 g/mol
Exact Mass497.15
IUPAC NameN-[3-(benzenesulfonamido)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cccc(NS(=O)(=O)c4ccccc4)c3)c12
InChIInChI=1S/C27H23N5O3S/c1-18-25-23(17-24(19-10-5-3-6-11-19)29-26(25)32(2)30-18)27(33)28-20-12-9-13-21(16-20)31-36(34,35)22-14-7-4-8-15-22/h3-17,31H,1-2H3,(H,28,33)
InChIKeyVZTJLMCTQNZTLE-UHFFFAOYSA-N
XLogP5.00
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166199194
N-[3-[(2-methoxyacetyl)amino]phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 36524540
1,3-dimethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16606126
N-[4-(cyclopropanecarbonylamino)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26064895
N-(3-chloro-4-cyanophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46687747
1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 146090748
1,3-dimethyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55586897
1,3-dimethyl-6-phenyl-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55783589
1,3-dimethyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166207441
1,3-dimethyl-N-(6-methyl-2-phenylpyrimidin-4-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 139015887
1,3-dimethyl-N-(3-methylsulfonylphenyl)-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 33158849
N-(2-hydroxyethyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56763090

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[3-(benzenesulfonamido)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55721310) is N-[3-(benzenesulfonamido)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(benzenesulfonamido)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cccc(NS(=O)(=O)c4ccccc4)c3)c12.
What is the InChIKey of N-[3-(benzenesulfonamido)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is VZTJLMCTQNZTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O3S/c1-18-25-23(17-24(19-10-5-3-6-11-19)29-26(25)32(2)30-18)27(33)28-20-12-9-13-21(16-20)31-36(34,35)22-14-7-4-8-15-22/h3-17,31H,1-2H3,(H,28,33).
What are the key properties of N-[3-(benzenesulfonamido)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[3-(benzenesulfonamido)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 497.58 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)phenyl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55721310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).