1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

C24H21F2N5O — CID 146012504

IUPAC1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCc1cc(Cn2c3c(c(-c4ccc(F)cc4)c2-c2ccncc2F)C(=O)NCC3)n(C)n1
InChIInChI=1S/C24H21F2N5O/c1-14-11-17(30(2)29-14)13-31-20-8-10-28-24(32)22(20)21(15-3-5-16(25)6-4-15)23(31)18-7-9-27-12-19(18)26/h3-7,9,11-12H,8,10,13H2,1-2H3,(H,28,32)
InChIKeyZHJITMIJFSXIPV-UHFFFAOYSA-N
MW433.46 g/mol
LogP3.87
Rot. Bonds4

About 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 146012504) has the molecular formula C24H21F2N5O and a molecular weight of 433.46 g/mol. Its IUPAC name is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID146012504
Molecular FormulaC24H21F2N5O
Molecular Weight433.46 g/mol
Exact Mass433.17
IUPAC Name1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCc1cc(Cn2c3c(c(-c4ccc(F)cc4)c2-c2ccncc2F)C(=O)NCC3)n(C)n1
InChIInChI=1S/C24H21F2N5O/c1-14-11-17(30(2)29-14)13-31-20-8-10-28-24(32)22(20)21(15-3-5-16(25)6-4-15)23(31)18-7-9-27-12-19(18)26/h3-7,9,11-12H,8,10,13H2,1-2H3,(H,28,32)
InChIKeyZHJITMIJFSXIPV-UHFFFAOYSA-N
XLogP3.87
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 146012504) is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is Cc1cc(Cn2c3c(c(-c4ccc(F)cc4)c2-c2ccncc2F)C(=O)NCC3)n(C)n1.
What is the InChIKey of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is ZHJITMIJFSXIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O/c1-14-11-17(30(2)29-14)13-31-20-8-10-28-24(32)22(20)21(15-3-5-16(25)6-4-15)23(31)18-7-9-27-12-19(18)26/h3-7,9,11-12H,8,10,13H2,1-2H3,(H,28,32).
What are the key properties of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 433.46 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 146012504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).