[2-(3-methoxy-4-pyrazol-1-ylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol

C24H22N4O4S — CID 162773029

IUPAC[2-(3-methoxy-4-pyrazol-1-ylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol
SMILESCOc1cc(S(=O)(=O)N2Cc3cnc(C(O)c4ccccc4)cc3C2)ccc1-n1cccn1
InChIInChI=1S/C24H22N4O4S/c1-32-23-13-20(8-9-22(23)28-11-5-10-26-28)33(30,31)27-15-18-12-21(25-14-19(18)16-27)24(29)17-6-3-2-4-7-17/h2-14,24,29H,15-16H2,1H3
InChIKeyBWRXEKODKVXVDY-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.06
Rot. Bonds6

About [2-(3-methoxy-4-pyrazol-1-ylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol

[2-(3-methoxy-4-pyrazol-1-ylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol (PubChem CID 162773029) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is [2-(3-methoxy-4-pyrazol-1-ylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol.

Molecular Properties

Compound Name[2-(3-methoxy-4-pyrazol-1-ylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol
PubChem CID162773029
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC Name[2-(3-methoxy-4-pyrazol-1-ylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol
SMILESCOc1cc(S(=O)(=O)N2Cc3cnc(C(O)c4ccccc4)cc3C2)ccc1-n1cccn1
InChIInChI=1S/C24H22N4O4S/c1-32-23-13-20(8-9-22(23)28-11-5-10-26-28)33(30,31)27-15-18-12-21(25-14-19(18)16-27)24(29)17-6-3-2-4-7-17/h2-14,24,29H,15-16H2,1H3
InChIKeyBWRXEKODKVXVDY-UHFFFAOYSA-N
XLogP3.06
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(3-methoxy-4-pyrazol-1-ylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol 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

5-Indazol-1-ylsulfonyl-7-methoxy-9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 58258790
[2-[4-(5-Fluoropyrazol-1-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol
CID 146446214
N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-4-pyridin-2-yloxybenzenesulfonamide
CID 67199992
[(4aR)-1-(4-fluorophenyl)-6-(3,4,5-trifluorophenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-(4-methoxy-2-pyridinyl)methanol
CID 89957490
[(4aR)-6-(3,5-difluorophenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-(4-methoxy-2-pyridinyl)methanol
CID 89957548
(S)-[6-(3,5-difluorophenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-(4-methoxy-2-pyridinyl)methanol
CID 126495935
(S)-[1-(4-fluorophenyl)-6-(3,4,5-trifluorophenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-(4-methoxy-2-pyridinyl)methanol
CID 126495936
3-[4-(2,5-Dimethylpyrrol-1-yl)sulfonylphenyl]-2-(3-fluoro-4-methoxyphenyl)pyrazolo[1,5-a]pyridine
CID 139886662
2-[4-(Difluoromethoxy)phenyl]-3-[4-(2,5-dimethylpyrrol-1-yl)sulfonylphenyl]pyrazolo[1,5-a]pyridine
CID 139886712
[2-[4-(5-Fluoropyrazol-1-yl)phenyl]sulfanyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol
CID 146490822
[2-[4-(5-Fluoropyrazol-1-yl)phenyl]sulfinyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol
CID 154975710
(R)-[(4aR)-6-(3,5-difluorophenyl)sulfonyl-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinolin-4a-yl]-(4-methoxy-2-pyridinyl)methanol
CID 175785617

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxy-4-pyrazol-1-ylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol?
The IUPAC name of [2-(3-methoxy-4-pyrazol-1-ylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol (CID 162773029) is [2-(3-methoxy-4-pyrazol-1-ylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol.
What is the SMILES notation for [2-(3-methoxy-4-pyrazol-1-ylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol?
The canonical SMILES for [2-(3-methoxy-4-pyrazol-1-ylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol is COc1cc(S(=O)(=O)N2Cc3cnc(C(O)c4ccccc4)cc3C2)ccc1-n1cccn1.
What is the InChIKey of [2-(3-methoxy-4-pyrazol-1-ylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol?
The InChIKey is BWRXEKODKVXVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-32-23-13-20(8-9-22(23)28-11-5-10-26-28)33(30,31)27-15-18-12-21(25-14-19(18)16-27)24(29)17-6-3-2-4-7-17/h2-14,24,29H,15-16H2,1H3.
What are the key properties of [2-(3-methoxy-4-pyrazol-1-ylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol?
[2-(3-methoxy-4-pyrazol-1-ylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol has a molecular weight of 462.53 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxy-4-pyrazol-1-ylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol is sourced from PubChem (CID 162773029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).