6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

C16H17F2N3O2 — CID 111469783

IUPAC6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCn1nc2c(cc1=O)CN(CC(O)c1ccc(F)cc1F)CC2
InChIInChI=1S/C16H17F2N3O2/c1-20-16(23)6-10-8-21(5-4-14(10)19-20)9-15(22)12-3-2-11(17)7-13(12)18/h2-3,6-7,15,22H,4-5,8-9H2,1H3
InChIKeyMFBQQEMFCZTCEI-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.15
Rot. Bonds3

About 6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (PubChem CID 111469783) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
PubChem CID111469783
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCn1nc2c(cc1=O)CN(CC(O)c1ccc(F)cc1F)CC2
InChIInChI=1S/C16H17F2N3O2/c1-20-16(23)6-10-8-21(5-4-14(10)19-20)9-15(22)12-3-2-11(17)7-13(12)18/h2-3,6-7,15,22H,4-5,8-9H2,1H3
InChIKeyMFBQQEMFCZTCEI-UHFFFAOYSA-N
XLogP1.15
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 111469786
6-[3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 111469782
(1S)-1-(2,4-difluorophenyl)-2-[4-(dimethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanol
CID 95148332
2-methyl-6-[2-(2-oxopyrrolidin-1-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 71870932
2-methyl-6-(3-phenylprop-2-enyl)-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 154740584
6-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 126791482
1-(2,4-difluorophenyl)-2-(1,2,4-triazol-4-yl)ethanol
CID 109400824
1-[4-[2-(2,4-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-2-methoxyethanone
CID 110898010
3-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-6-phenylpyrimidin-4-one
CID 167943855
2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 110885169
1-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 110898547
(1R)-1-(2,4-difluorophenyl)-2-[4-(2,6-difluorophenyl)piperazin-1-yl]ethanol
CID 166370843

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (CID 111469783) is 6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is Cn1nc2c(cc1=O)CN(CC(O)c1ccc(F)cc1F)CC2.
What is the InChIKey of 6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The InChIKey is MFBQQEMFCZTCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-20-16(23)6-10-8-21(5-4-14(10)19-20)9-15(22)12-3-2-11(17)7-13(12)18/h2-3,6-7,15,22H,4-5,8-9H2,1H3.
What are the key properties of 6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one has a molecular weight of 321.33 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 111469783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).