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

C24H22FN5O — CID 146012396

IUPAC1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCc1cc(Cn2c3c(c(-c4ccc(F)cc4)c2-c2ccncc2)C(=O)NCC3)n(C)n1
InChIInChI=1S/C24H22FN5O/c1-15-13-19(29(2)28-15)14-30-20-9-12-27-24(31)22(20)21(16-3-5-18(25)6-4-16)23(30)17-7-10-26-11-8-17/h3-8,10-11,13H,9,12,14H2,1-2H3,(H,27,31)
InChIKeyLTTJDFJYAXMGQR-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.73
Rot. Bonds4

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

1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 146012396) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-pyridin-4-yl-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-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID146012396
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCc1cc(Cn2c3c(c(-c4ccc(F)cc4)c2-c2ccncc2)C(=O)NCC3)n(C)n1
InChIInChI=1S/C24H22FN5O/c1-15-13-19(29(2)28-15)14-30-20-9-12-27-24(31)22(20)21(16-3-5-18(25)6-4-16)23(30)17-7-10-26-11-8-17/h3-8,10-11,13H,9,12,14H2,1-2H3,(H,27,31)
InChIKeyLTTJDFJYAXMGQR-UHFFFAOYSA-N
XLogP3.73
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-pyridin-4-yl-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-pyridin-4-yl-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-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 146012396) is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-pyridin-4-yl-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-pyridin-4-yl-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-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is Cc1cc(Cn2c3c(c(-c4ccc(F)cc4)c2-c2ccncc2)C(=O)NCC3)n(C)n1.
What is the InChIKey of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is LTTJDFJYAXMGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c1-15-13-19(29(2)28-15)14-30-20-9-12-27-24(31)22(20)21(16-3-5-18(25)6-4-16)23(30)17-7-10-26-11-8-17/h3-8,10-11,13H,9,12,14H2,1-2H3,(H,27,31).
What are the key properties of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-fluorophenyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 415.47 g/mol, XLogP of 3.73, 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-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 146012396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).