6-(4-fluorophenyl)-2-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobutyl]pyridazin-3-one

C23H22FN3O2 — CID 16884898

IUPAC6-(4-fluorophenyl)-2-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobutyl]pyridazin-3-one
SMILESCC1Cc2ccccc2N1C(=O)CCCn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C23H22FN3O2/c1-16-15-18-5-2-3-6-21(18)27(16)23(29)7-4-14-26-22(28)13-12-20(25-26)17-8-10-19(24)11-9-17/h2-3,5-6,8-13,16H,4,7,14-15H2,1H3
InChIKeyHIZBOIZCVXERFR-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.81
Rot. Bonds5

About 6-(4-fluorophenyl)-2-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobutyl]pyridazin-3-one

6-(4-fluorophenyl)-2-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobutyl]pyridazin-3-one (PubChem CID 16884898) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobutyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobutyl]pyridazin-3-one
PubChem CID16884898
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name6-(4-fluorophenyl)-2-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobutyl]pyridazin-3-one
SMILESCC1Cc2ccccc2N1C(=O)CCCn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C23H22FN3O2/c1-16-15-18-5-2-3-6-21(18)27(16)23(29)7-4-14-26-22(28)13-12-20(25-26)17-8-10-19(24)11-9-17/h2-3,5-6,8-13,16H,4,7,14-15H2,1H3
InChIKeyHIZBOIZCVXERFR-UHFFFAOYSA-N
XLogP3.81
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobutyl]pyridazin-3-one?
The IUPAC name of 6-(4-fluorophenyl)-2-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobutyl]pyridazin-3-one (CID 16884898) is 6-(4-fluorophenyl)-2-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobutyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobutyl]pyridazin-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-2-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobutyl]pyridazin-3-one is CC1Cc2ccccc2N1C(=O)CCCn1nc(-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of 6-(4-fluorophenyl)-2-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobutyl]pyridazin-3-one?
The InChIKey is HIZBOIZCVXERFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-16-15-18-5-2-3-6-21(18)27(16)23(29)7-4-14-26-22(28)13-12-20(25-26)17-8-10-19(24)11-9-17/h2-3,5-6,8-13,16H,4,7,14-15H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-2-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobutyl]pyridazin-3-one?
6-(4-fluorophenyl)-2-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobutyl]pyridazin-3-one has a molecular weight of 391.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobutyl]pyridazin-3-one is sourced from PubChem (CID 16884898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).