[2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol

C23H19FN4O3S — CID 146446214

IUPAC[2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol
SMILESO=S(=O)(c1ccc(-n2nccc2F)cc1)N1Cc2cnc(C(O)c3ccccc3)cc2C1
InChIInChI=1S/C23H19FN4O3S/c24-22-10-11-26-28(22)19-6-8-20(9-7-19)32(30,31)27-14-17-12-21(25-13-18(17)15-27)23(29)16-4-2-1-3-5-16/h1-13,23,29H,14-15H2
InChIKeyCPRAAEALKBLQJN-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.19
Rot. Bonds5

About [2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol

[2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol (PubChem CID 146446214) has the molecular formula C23H19FN4O3S and a molecular weight of 450.50 g/mol. Its IUPAC name is [2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol.

Molecular Properties

Compound Name[2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol
PubChem CID146446214
Molecular FormulaC23H19FN4O3S
Molecular Weight450.50 g/mol
Exact Mass450.12
IUPAC Name[2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol
SMILESO=S(=O)(c1ccc(-n2nccc2F)cc1)N1Cc2cnc(C(O)c3ccccc3)cc2C1
InChIInChI=1S/C23H19FN4O3S/c24-22-10-11-26-28(22)19-6-8-20(9-7-19)32(30,31)27-14-17-12-21(25-13-18(17)15-27)23(29)16-4-2-1-3-5-16/h1-13,23,29H,14-15H2
InChIKeyCPRAAEALKBLQJN-UHFFFAOYSA-N
XLogP3.19
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-Fluoro-4-pyrazol-1-ylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(3-piperazin-1-ylphenyl)methanol
CID 162773053
4-[4-(3-Fluoro-phenyl)-[1,2,3]triazol-2-yl]-N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide
CID 12049914
4-[4-(4-Fluoro-phenyl)-[1,2,3]triazol-2-yl]-N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide
CID 12049915
4-[4-(3-Fluoro-benzyl)-[1,2,3]triazol-2-yl]-N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide
CID 12049919
4-[4-(4-Fluoro-benzyl)-[1,2,3]triazol-2-yl]-N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide
CID 12049920
4-{4-[(4-Fluoro-phenyl)-hydroxy-methyl]-[1,2,3]triazol-2-yl}-N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide
CID 44307085
4-[3-(Hydroxymethyl)-5-pyridin-3-ylpyrazol-1-yl]benzenesulfonamide
CID 71578641
[2-[4-(4,5-Dihydro-1,3-oxazol-2-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol
CID 154963858
Phenyl-[2-(4-pyrazol-1-ylcyclohexyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]methanol
CID 162773094
[2-(3-Methoxy-4-pyrazol-1-ylphenyl)sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol
CID 162773029
[1-(phenylsulfonyl)-1H-indol-2-yl](2-pyridinyl)methanol
CID 11842262
1-[1-(Benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]ethanol
CID 13656334

Frequently Asked Questions

What is the IUPAC name of [2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol?
The IUPAC name of [2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol (CID 146446214) is [2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol.
What is the SMILES notation for [2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol?
The canonical SMILES for [2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol is O=S(=O)(c1ccc(-n2nccc2F)cc1)N1Cc2cnc(C(O)c3ccccc3)cc2C1.
What is the InChIKey of [2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol?
The InChIKey is CPRAAEALKBLQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3S/c24-22-10-11-26-28(22)19-6-8-20(9-7-19)32(30,31)27-14-17-12-21(25-13-18(17)15-27)23(29)16-4-2-1-3-5-16/h1-13,23,29H,14-15H2.
What are the key properties of [2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol?
[2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol has a molecular weight of 450.50 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(5-fluoropyrazol-1-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol is sourced from PubChem (CID 146446214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).