6-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

C17H15FN4OS — CID 71971635

IUPAC6-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCn1nc2c(cc1=O)CN(c1nc(-c3ccc(F)cc3)cs1)CC2
InChIInChI=1S/C17H15FN4OS/c1-21-16(23)8-12-9-22(7-6-14(12)20-21)17-19-15(10-24-17)11-2-4-13(18)5-3-11/h2-5,8,10H,6-7,9H2,1H3
InChIKeyGUOIQNOJALUWKU-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.61
Rot. Bonds2

About 6-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

6-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (PubChem CID 71971635) has the molecular formula C17H15FN4OS and a molecular weight of 342.40 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
PubChem CID71971635
Molecular FormulaC17H15FN4OS
Molecular Weight342.40 g/mol
Exact Mass342.10
IUPAC Name6-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCn1nc2c(cc1=O)CN(c1nc(-c3ccc(F)cc3)cs1)CC2
InChIInChI=1S/C17H15FN4OS/c1-21-16(23)8-12-9-22(7-6-14(12)20-21)17-19-15(10-24-17)11-2-4-13(18)5-3-11/h2-5,8,10H,6-7,9H2,1H3
InChIKeyGUOIQNOJALUWKU-UHFFFAOYSA-N
XLogP2.61
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one with MolForge

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Related Compounds

6-(6-fluoro-2-methylquinolin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 133368386
4-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole
CID 166227981
4-(4-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazole
CID 702908
1-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 133371083
4-(4-fluorophenyl)-2-[(1S,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-1,3-thiazole
CID 124744189
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 133371960
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 133372230
(1S,5R)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 72892934
6-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 133403629
6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943979
2-[4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]phenyl]-5,6,7,8-tetrahydro-4H-1,3-oxazonin-9-one
CID 143504885
6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343816

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 6-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (CID 71971635) is 6-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 6-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 6-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is Cn1nc2c(cc1=O)CN(c1nc(-c3ccc(F)cc3)cs1)CC2.
What is the InChIKey of 6-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The InChIKey is GUOIQNOJALUWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4OS/c1-21-16(23)8-12-9-22(7-6-14(12)20-21)17-19-15(10-24-17)11-2-4-13(18)5-3-11/h2-5,8,10H,6-7,9H2,1H3.
What are the key properties of 6-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
6-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one has a molecular weight of 342.40 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 71971635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).