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

C25H22FN5O2 — CID 58577342

IUPAC1-[4-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCC1(C)CCC(=O)N1c1ccc(-n2ccc(=O)c(-c3ccnn3-c3ccccc3)n2)c(F)c1
InChIInChI=1S/C25H22FN5O2/c1-25(2)13-10-23(33)30(25)18-8-9-20(19(26)16-18)29-15-12-22(32)24(28-29)21-11-14-27-31(21)17-6-4-3-5-7-17/h3-9,11-12,14-16H,10,13H2,1-2H3
InChIKeyNVLZOOGSTIAXGE-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.13
Rot. Bonds4

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

1-[4-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (PubChem CID 58577342) has the molecular formula C25H22FN5O2 and a molecular weight of 443.48 g/mol. Its IUPAC name is 1-[4-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.

Molecular Properties

Compound Name1-[4-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
PubChem CID58577342
Molecular FormulaC25H22FN5O2
Molecular Weight443.48 g/mol
Exact Mass443.18
IUPAC Name1-[4-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCC1(C)CCC(=O)N1c1ccc(-n2ccc(=O)c(-c3ccnn3-c3ccccc3)n2)c(F)c1
InChIInChI=1S/C25H22FN5O2/c1-25(2)13-10-23(33)30(25)18-8-9-20(19(26)16-18)29-15-12-22(32)24(28-29)21-11-14-27-31(21)17-6-4-3-5-7-17/h3-9,11-12,14-16H,10,13H2,1-2H3
InChIKeyNVLZOOGSTIAXGE-UHFFFAOYSA-N
XLogP4.13
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The IUPAC name of 1-[4-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (CID 58577342) is 1-[4-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.
What is the SMILES notation for 1-[4-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The canonical SMILES for 1-[4-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is CC1(C)CCC(=O)N1c1ccc(-n2ccc(=O)c(-c3ccnn3-c3ccccc3)n2)c(F)c1.
What is the InChIKey of 1-[4-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The InChIKey is NVLZOOGSTIAXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O2/c1-25(2)13-10-23(33)30(25)18-8-9-20(19(26)16-18)29-15-12-22(32)24(28-29)21-11-14-27-31(21)17-6-4-3-5-7-17/h3-9,11-12,14-16H,10,13H2,1-2H3.
What are the key properties of 1-[4-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
1-[4-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one has a molecular weight of 443.48 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethyl-5-oxopyrrolidin-1-yl)-2-fluorophenyl]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is sourced from PubChem (CID 58577342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).