1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one

C24H16F3N5O — CID 58577571

IUPAC1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCc1cc(-c2nn(-c3ccc(-n4cc(F)c(F)c4)cc3F)ccc2=O)n(-c2ccccc2)n1
InChIInChI=1S/C24H16F3N5O/c1-15-11-22(32(28-15)16-5-3-2-4-6-16)24-23(33)9-10-31(29-24)21-8-7-17(12-18(21)25)30-13-19(26)20(27)14-30/h2-14H,1H3
InChIKeyRYLRBTMKHYVKRO-UHFFFAOYSA-N
MW447.42 g/mol
LogP4.60
Rot. Bonds4

About 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one

1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one (PubChem CID 58577571) has the molecular formula C24H16F3N5O and a molecular weight of 447.42 g/mol. Its IUPAC name is 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one.

Molecular Properties

Compound Name1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one
PubChem CID58577571
Molecular FormulaC24H16F3N5O
Molecular Weight447.42 g/mol
Exact Mass447.13
IUPAC Name1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCc1cc(-c2nn(-c3ccc(-n4cc(F)c(F)c4)cc3F)ccc2=O)n(-c2ccccc2)n1
InChIInChI=1S/C24H16F3N5O/c1-15-11-22(32(28-15)16-5-3-2-4-6-16)24-23(33)9-10-31(29-24)21-8-7-17(12-18(21)25)30-13-19(26)20(27)14-30/h2-14H,1H3
InChIKeyRYLRBTMKHYVKRO-UHFFFAOYSA-N
XLogP4.60
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.42
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one?
The IUPAC name of 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one (CID 58577571) is 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one.
What is the SMILES notation for 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one?
The canonical SMILES for 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one is Cc1cc(-c2nn(-c3ccc(-n4cc(F)c(F)c4)cc3F)ccc2=O)n(-c2ccccc2)n1.
What is the InChIKey of 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one?
The InChIKey is RYLRBTMKHYVKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N5O/c1-15-11-22(32(28-15)16-5-3-2-4-6-16)24-23(33)9-10-31(29-24)21-8-7-17(12-18(21)25)30-13-19(26)20(27)14-30/h2-14H,1H3.
What are the key properties of 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one?
1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one has a molecular weight of 447.42 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(5-methyl-2-phenylpyrazol-3-yl)pyridazin-4-one is sourced from PubChem (CID 58577571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).