3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

C25H20FN3O3S — CID 121432251

IUPAC3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCc1ccc(S(=O)(=O)n2c3c(c(-c4ccc(F)cc4)c2-c2ccncc2)C(=O)NCC3)cc1
InChIInChI=1S/C25H20FN3O3S/c1-16-2-8-20(9-3-16)33(31,32)29-21-12-15-28-25(30)23(21)22(17-4-6-19(26)7-5-17)24(29)18-10-13-27-14-11-18/h2-11,13-14H,12,15H2,1H3,(H,28,30)
InChIKeyVIFMYWYJTRHGDZ-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.19
Rot. Bonds4

About 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 121432251) has the molecular formula C25H20FN3O3S and a molecular weight of 461.52 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID121432251
Molecular FormulaC25H20FN3O3S
Molecular Weight461.52 g/mol
Exact Mass461.12
IUPAC Name3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCc1ccc(S(=O)(=O)n2c3c(c(-c4ccc(F)cc4)c2-c2ccncc2)C(=O)NCC3)cc1
InChIInChI=1S/C25H20FN3O3S/c1-16-2-8-20(9-3-16)33(31,32)29-21-12-15-28-25(30)23(21)22(17-4-6-19(26)7-5-17)24(29)18-10-13-27-14-11-18/h2-11,13-14H,12,15H2,1H3,(H,28,30)
InChIKeyVIFMYWYJTRHGDZ-UHFFFAOYSA-N
XLogP4.19
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(2-(2-Fluorophenyl)pyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
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Pyrrolopyridine, 37
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N-{4-[(3,5-Difluorophenyl)sulfonyl]benzyl}indolizine-7-Carboxamide
CID 76401548
N-[3-(4-Fluorophenyl)-3-(4-methanesulfonyl-phenyl)-propyl]-nicotinamide
CID 44475062
N-{4-[(3,5-Difluorophenyl)sulfonyl]benzyl}indolizine-6-Carboxamide
CID 76401547
6-cyano-N-[3-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine-3-carboxamide
CID 70690881

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 121432251) is 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is Cc1ccc(S(=O)(=O)n2c3c(c(-c4ccc(F)cc4)c2-c2ccncc2)C(=O)NCC3)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is VIFMYWYJTRHGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O3S/c1-16-2-8-20(9-3-16)33(31,32)29-21-12-15-28-25(30)23(21)22(17-4-6-19(26)7-5-17)24(29)18-10-13-27-14-11-18/h2-11,13-14H,12,15H2,1H3,(H,28,30).
What are the key properties of 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 461.52 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 121432251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).