6-[6-(4-fluorophenyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-2-(2-methylphenyl)pyridazin-3-one

C22H18FN5O — CID 135975090

IUPAC6-[6-(4-fluorophenyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-2-(2-methylphenyl)pyridazin-3-one
SMILESCc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2NCC3)ccc1=O
InChIInChI=1S/C22H18FN5O/c1-14-4-2-3-5-18(14)28-19(29)11-10-17(25-28)20-21(15-6-8-16(23)9-7-15)26-27-13-12-24-22(20)27/h2-11,24H,12-13H2,1H3
InChIKeyKVJGAHKNJAOOOG-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.64
Rot. Bonds3

About 6-[6-(4-fluorophenyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-2-(2-methylphenyl)pyridazin-3-one

6-[6-(4-fluorophenyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-2-(2-methylphenyl)pyridazin-3-one (PubChem CID 135975090) has the molecular formula C22H18FN5O and a molecular weight of 387.42 g/mol. Its IUPAC name is 6-[6-(4-fluorophenyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-2-(2-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[6-(4-fluorophenyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-2-(2-methylphenyl)pyridazin-3-one
PubChem CID135975090
Molecular FormulaC22H18FN5O
Molecular Weight387.42 g/mol
Exact Mass387.15
IUPAC Name6-[6-(4-fluorophenyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-2-(2-methylphenyl)pyridazin-3-one
SMILESCc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2NCC3)ccc1=O
InChIInChI=1S/C22H18FN5O/c1-14-4-2-3-5-18(14)28-19(29)11-10-17(25-28)20-21(15-6-8-16(23)9-7-15)26-27-13-12-24-22(20)27/h2-11,24H,12-13H2,1H3
InChIKeyKVJGAHKNJAOOOG-UHFFFAOYSA-N
XLogP3.64
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-fluorophenyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-2-(2-methylphenyl)pyridazin-3-one?
The IUPAC name of 6-[6-(4-fluorophenyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-2-(2-methylphenyl)pyridazin-3-one (CID 135975090) is 6-[6-(4-fluorophenyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-2-(2-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 6-[6-(4-fluorophenyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-2-(2-methylphenyl)pyridazin-3-one?
The canonical SMILES for 6-[6-(4-fluorophenyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-2-(2-methylphenyl)pyridazin-3-one is Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2NCC3)ccc1=O.
What is the InChIKey of 6-[6-(4-fluorophenyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-2-(2-methylphenyl)pyridazin-3-one?
The InChIKey is KVJGAHKNJAOOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O/c1-14-4-2-3-5-18(14)28-19(29)11-10-17(25-28)20-21(15-6-8-16(23)9-7-15)26-27-13-12-24-22(20)27/h2-11,24H,12-13H2,1H3.
What are the key properties of 6-[6-(4-fluorophenyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-2-(2-methylphenyl)pyridazin-3-one?
6-[6-(4-fluorophenyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-2-(2-methylphenyl)pyridazin-3-one has a molecular weight of 387.42 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4-fluorophenyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-2-(2-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 135975090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).