3-[4-[1-(3-chlorophenyl)pyrazol-4-yl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one

C24H18ClN5O3S — CID 159540448

IUPAC3-[4-[1-(3-chlorophenyl)pyrazol-4-yl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one
SMILESO=C(CCc1ccc(S(=O)(=O)c2cnn(-c3cccc(Cl)c3)c2)cc1)c1cnc2[nH]ncc2c1
InChIInChI=1S/C24H18ClN5O3S/c25-19-2-1-3-20(11-19)30-15-22(14-28-30)34(32,33)21-7-4-16(5-8-21)6-9-23(31)17-10-18-13-27-29-24(18)26-12-17/h1-5,7-8,10-15H,6,9H2,(H,26,27,29)
InChIKeyMEDDYIQBQBRCGF-UHFFFAOYSA-N
MW491.96 g/mol
LogP4.45
Rot. Bonds7

About 3-[4-[1-(3-chlorophenyl)pyrazol-4-yl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one

3-[4-[1-(3-chlorophenyl)pyrazol-4-yl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one (PubChem CID 159540448) has the molecular formula C24H18ClN5O3S and a molecular weight of 491.96 g/mol. Its IUPAC name is 3-[4-[1-(3-chlorophenyl)pyrazol-4-yl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name3-[4-[1-(3-chlorophenyl)pyrazol-4-yl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one
PubChem CID159540448
Molecular FormulaC24H18ClN5O3S
Molecular Weight491.96 g/mol
Exact Mass491.08
IUPAC Name3-[4-[1-(3-chlorophenyl)pyrazol-4-yl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one
SMILESO=C(CCc1ccc(S(=O)(=O)c2cnn(-c3cccc(Cl)c3)c2)cc1)c1cnc2[nH]ncc2c1
InChIInChI=1S/C24H18ClN5O3S/c25-19-2-1-3-20(11-19)30-15-22(14-28-30)34(32,33)21-7-4-16(5-8-21)6-9-23(31)17-10-18-13-27-29-24(18)26-12-17/h1-5,7-8,10-15H,6,9H2,(H,26,27,29)
InChIKeyMEDDYIQBQBRCGF-UHFFFAOYSA-N
XLogP4.45
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.96
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-[1-(3-chlorophenyl)pyrazol-4-yl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(2-methyl-4-pyrazol-1-ylphenyl)sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one
CID 160745513
3-[4-[(5-chloro-3-methyl-2-pyridinyl)sulfonyl]phenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one
CID 159116568
3-[4-[3-(methoxymethyl)phenyl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one
CID 157348689
3-[4-(3-fluoro-5-methylphenyl)sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one
CID 159840003
3-[4-(1,3-benzodioxol-4-ylsulfonyl)phenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one
CID 162001333
3-[4-(2-fluoro-4-methoxyphenyl)sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one
CID 147762216
3-[4-[2-(morpholin-4-ylmethyl)phenyl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one
CID 148584063
N-[[4-[1-(3-chlorophenyl)pyrazol-4-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012461
N-[[4-(2-fluoro-4-pyrazol-1-ylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 66613502
N-[[4-(4-butylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 66613556
N-[[4-(3-chloro-2-methylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 66613511
N-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70984780

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(3-chlorophenyl)pyrazol-4-yl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one?
The IUPAC name of 3-[4-[1-(3-chlorophenyl)pyrazol-4-yl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one (CID 159540448) is 3-[4-[1-(3-chlorophenyl)pyrazol-4-yl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 3-[4-[1-(3-chlorophenyl)pyrazol-4-yl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one?
The canonical SMILES for 3-[4-[1-(3-chlorophenyl)pyrazol-4-yl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one is O=C(CCc1ccc(S(=O)(=O)c2cnn(-c3cccc(Cl)c3)c2)cc1)c1cnc2[nH]ncc2c1.
What is the InChIKey of 3-[4-[1-(3-chlorophenyl)pyrazol-4-yl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one?
The InChIKey is MEDDYIQBQBRCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O3S/c25-19-2-1-3-20(11-19)30-15-22(14-28-30)34(32,33)21-7-4-16(5-8-21)6-9-23(31)17-10-18-13-27-29-24(18)26-12-17/h1-5,7-8,10-15H,6,9H2,(H,26,27,29).
What are the key properties of 3-[4-[1-(3-chlorophenyl)pyrazol-4-yl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one?
3-[4-[1-(3-chlorophenyl)pyrazol-4-yl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one has a molecular weight of 491.96 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(3-chlorophenyl)pyrazol-4-yl]sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 159540448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).