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

C24H16F3N5O2 — CID 46848914

IUPAC1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCOc1cn(-c2ccc(-n3cc(F)c(F)c3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O
InChIInChI=1S/C24H16F3N5O2/c1-34-22-14-31(20-8-7-16(11-17(20)25)30-12-18(26)19(27)13-30)29-23(24(22)33)21-9-10-28-32(21)15-5-3-2-4-6-15/h2-14H,1H3
InChIKeyDUVTYDUZPQTGFG-UHFFFAOYSA-N
MW463.42 g/mol
LogP4.30
Rot. Bonds5

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

1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (PubChem CID 46848914) has the molecular formula C24H16F3N5O2 and a molecular weight of 463.42 g/mol. Its IUPAC name is 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.

Molecular Properties

Compound Name1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
PubChem CID46848914
Molecular FormulaC24H16F3N5O2
Molecular Weight463.42 g/mol
Exact Mass463.13
IUPAC Name1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCOc1cn(-c2ccc(-n3cc(F)c(F)c3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O
InChIInChI=1S/C24H16F3N5O2/c1-34-22-14-31(20-8-7-16(11-17(20)25)30-12-18(26)19(27)13-30)29-23(24(22)33)21-9-10-28-32(21)15-5-3-2-4-6-15/h2-14H,1H3
InChIKeyDUVTYDUZPQTGFG-UHFFFAOYSA-N
XLogP4.30
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.42
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The IUPAC name of 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (CID 46848914) is 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.
What is the SMILES notation for 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The canonical SMILES for 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is COc1cn(-c2ccc(-n3cc(F)c(F)c3)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O.
What is the InChIKey of 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The InChIKey is DUVTYDUZPQTGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N5O2/c1-34-22-14-31(20-8-7-16(11-17(20)25)30-12-18(26)19(27)13-30)29-23(24(22)33)21-9-10-28-32(21)15-5-3-2-4-6-15/h2-14H,1H3.
What are the key properties of 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one has a molecular weight of 463.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is sourced from PubChem (CID 46848914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).