1-(6-chloropyridazin-3-yl)-3-(2-fluorophenyl)-7,7-dimethyl-5,6-dihydroindazol-4-one

C19H16ClFN4O — CID 22732843

IUPAC1-(6-chloropyridazin-3-yl)-3-(2-fluorophenyl)-7,7-dimethyl-5,6-dihydroindazol-4-one
SMILESCC1(C)CCC(=O)c2c(-c3ccccc3F)nn(-c3ccc(Cl)nn3)c21
InChIInChI=1S/C19H16ClFN4O/c1-19(2)10-9-13(26)16-17(11-5-3-4-6-12(11)21)24-25(18(16)19)15-8-7-14(20)22-23-15/h3-8H,9-10H2,1-2H3
InChIKeyHRQBYWGGBSCKSJ-UHFFFAOYSA-N
MW370.82 g/mol
LogP4.38
Rot. Bonds2

About 1-(6-chloropyridazin-3-yl)-3-(2-fluorophenyl)-7,7-dimethyl-5,6-dihydroindazol-4-one

1-(6-chloropyridazin-3-yl)-3-(2-fluorophenyl)-7,7-dimethyl-5,6-dihydroindazol-4-one (PubChem CID 22732843) has the molecular formula C19H16ClFN4O and a molecular weight of 370.82 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-3-(2-fluorophenyl)-7,7-dimethyl-5,6-dihydroindazol-4-one.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-3-(2-fluorophenyl)-7,7-dimethyl-5,6-dihydroindazol-4-one
PubChem CID22732843
Molecular FormulaC19H16ClFN4O
Molecular Weight370.82 g/mol
Exact Mass370.10
IUPAC Name1-(6-chloropyridazin-3-yl)-3-(2-fluorophenyl)-7,7-dimethyl-5,6-dihydroindazol-4-one
SMILESCC1(C)CCC(=O)c2c(-c3ccccc3F)nn(-c3ccc(Cl)nn3)c21
InChIInChI=1S/C19H16ClFN4O/c1-19(2)10-9-13(26)16-17(11-5-3-4-6-12(11)21)24-25(18(16)19)15-8-7-14(20)22-23-15/h3-8H,9-10H2,1-2H3
InChIKeyHRQBYWGGBSCKSJ-UHFFFAOYSA-N
XLogP4.38
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-3-(2-fluorophenyl)-7,7-dimethyl-5,6-dihydroindazol-4-one?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-3-(2-fluorophenyl)-7,7-dimethyl-5,6-dihydroindazol-4-one (CID 22732843) is 1-(6-chloropyridazin-3-yl)-3-(2-fluorophenyl)-7,7-dimethyl-5,6-dihydroindazol-4-one.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-3-(2-fluorophenyl)-7,7-dimethyl-5,6-dihydroindazol-4-one?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-3-(2-fluorophenyl)-7,7-dimethyl-5,6-dihydroindazol-4-one is CC1(C)CCC(=O)c2c(-c3ccccc3F)nn(-c3ccc(Cl)nn3)c21.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-3-(2-fluorophenyl)-7,7-dimethyl-5,6-dihydroindazol-4-one?
The InChIKey is HRQBYWGGBSCKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O/c1-19(2)10-9-13(26)16-17(11-5-3-4-6-12(11)21)24-25(18(16)19)15-8-7-14(20)22-23-15/h3-8H,9-10H2,1-2H3.
What are the key properties of 1-(6-chloropyridazin-3-yl)-3-(2-fluorophenyl)-7,7-dimethyl-5,6-dihydroindazol-4-one?
1-(6-chloropyridazin-3-yl)-3-(2-fluorophenyl)-7,7-dimethyl-5,6-dihydroindazol-4-one has a molecular weight of 370.82 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-3-(2-fluorophenyl)-7,7-dimethyl-5,6-dihydroindazol-4-one is sourced from PubChem (CID 22732843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).