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

C23H14F3N5O — CID 58577257

IUPAC1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESO=c1ccn(-c2ccc(-n3cc(F)c(F)c3)cc2F)nc1-c1ccnn1-c1ccccc1
InChIInChI=1S/C23H14F3N5O/c24-17-12-16(29-13-18(25)19(26)14-29)6-7-20(17)30-11-9-22(32)23(28-30)21-8-10-27-31(21)15-4-2-1-3-5-15/h1-14H
InChIKeyGYQPODAVZQIGAP-UHFFFAOYSA-N
MW433.39 g/mol
LogP4.29
Rot. Bonds4

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

1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (PubChem CID 58577257) has the molecular formula C23H14F3N5O and a molecular weight of 433.39 g/mol. Its IUPAC name is 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.

Molecular Properties

Compound Name1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
PubChem CID58577257
Molecular FormulaC23H14F3N5O
Molecular Weight433.39 g/mol
Exact Mass433.12
IUPAC Name1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESO=c1ccn(-c2ccc(-n3cc(F)c(F)c3)cc2F)nc1-c1ccnn1-c1ccccc1
InChIInChI=1S/C23H14F3N5O/c24-17-12-16(29-13-18(25)19(26)14-29)6-7-20(17)30-11-9-22(32)23(28-30)21-8-10-27-31(21)15-4-2-1-3-5-15/h1-14H
InChIKeyGYQPODAVZQIGAP-UHFFFAOYSA-N
XLogP4.29
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The IUPAC name of 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (CID 58577257) is 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.
What is the SMILES notation for 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The canonical SMILES for 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is O=c1ccn(-c2ccc(-n3cc(F)c(F)c3)cc2F)nc1-c1ccnn1-c1ccccc1.
What is the InChIKey of 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The InChIKey is GYQPODAVZQIGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N5O/c24-17-12-16(29-13-18(25)19(26)14-29)6-7-20(17)30-11-9-22(32)23(28-30)21-8-10-27-31(21)15-4-2-1-3-5-15/h1-14H.
What are the key properties of 1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
1-[4-(3,4-difluoropyrrol-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one has a molecular weight of 433.39 g/mol, XLogP of 4.29, 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-(2-phenylpyrazol-3-yl)pyridazin-4-one is sourced from PubChem (CID 58577257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).