7-(4-chlorophenyl)-2-[(2-methyl-2,3-dihydropyridin-5-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C23H19ClN6O — CID 143072191

IUPAC7-(4-chlorophenyl)-2-[(2-methyl-2,3-dihydropyridin-5-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC1CC=C(Cn2nc3c(-c4ccncc4)c(-c4ccc(Cl)cc4)cnn3c2=O)C=N1
InChIInChI=1S/C23H19ClN6O/c1-15-2-3-16(12-26-15)14-29-23(31)30-22(28-29)21(18-8-10-25-11-9-18)20(13-27-30)17-4-6-19(24)7-5-17/h3-13,15H,2,14H2,1H3
InChIKeySGNSIPIJYKHIQW-UHFFFAOYSA-N
MW430.90 g/mol
LogP4.06
Rot. Bonds4

About 7-(4-chlorophenyl)-2-[(2-methyl-2,3-dihydropyridin-5-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one

7-(4-chlorophenyl)-2-[(2-methyl-2,3-dihydropyridin-5-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 143072191) has the molecular formula C23H19ClN6O and a molecular weight of 430.90 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-[(2-methyl-2,3-dihydropyridin-5-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2-[(2-methyl-2,3-dihydropyridin-5-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID143072191
Molecular FormulaC23H19ClN6O
Molecular Weight430.90 g/mol
Exact Mass430.13
IUPAC Name7-(4-chlorophenyl)-2-[(2-methyl-2,3-dihydropyridin-5-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC1CC=C(Cn2nc3c(-c4ccncc4)c(-c4ccc(Cl)cc4)cnn3c2=O)C=N1
InChIInChI=1S/C23H19ClN6O/c1-15-2-3-16(12-26-15)14-29-23(31)30-22(28-29)21(18-8-10-25-11-9-18)20(13-27-30)17-4-6-19(24)7-5-17/h3-13,15H,2,14H2,1H3
InChIKeySGNSIPIJYKHIQW-UHFFFAOYSA-N
XLogP4.06
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.90
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-(4-chlorophenyl)-2-[(2-methyl-2,3-dihydropyridin-5-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-b]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

7,8-bis(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 11988882
7-(4-chlorophenyl)-8-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 11988751
4-[[7-(4-chlorophenyl)-3-oxo-8-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]methyl]benzonitrile
CID 11989872
7,8-bis(4-chlorophenyl)-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 59716793
7,8-bis(4-chlorophenyl)-2-[(4-phenylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 11990330
7,8-bis(4-chlorophenyl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 59716854
8-pyridin-4-yl-7-(4-pyridin-4-ylphenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 59716795
7-(4-chlorophenyl)-8-(4-fluorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 59716916
7-(4-methylphenyl)-2-[[4-(1,2-oxazol-5-yl)phenyl]methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 59716730
4-[8-(4-chlorophenyl)-3-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]benzoic acid
CID 59716887
7,8-bis(4-chlorophenyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 11990202
8-(4-chlorophenyl)-7-pyridin-3-yl-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 59716811

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-[(2-methyl-2,3-dihydropyridin-5-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 7-(4-chlorophenyl)-2-[(2-methyl-2,3-dihydropyridin-5-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 143072191) is 7-(4-chlorophenyl)-2-[(2-methyl-2,3-dihydropyridin-5-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 7-(4-chlorophenyl)-2-[(2-methyl-2,3-dihydropyridin-5-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 7-(4-chlorophenyl)-2-[(2-methyl-2,3-dihydropyridin-5-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CC1CC=C(Cn2nc3c(-c4ccncc4)c(-c4ccc(Cl)cc4)cnn3c2=O)C=N1.
What is the InChIKey of 7-(4-chlorophenyl)-2-[(2-methyl-2,3-dihydropyridin-5-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is SGNSIPIJYKHIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN6O/c1-15-2-3-16(12-26-15)14-29-23(31)30-22(28-29)21(18-8-10-25-11-9-18)20(13-27-30)17-4-6-19(24)7-5-17/h3-13,15H,2,14H2,1H3.
What are the key properties of 7-(4-chlorophenyl)-2-[(2-methyl-2,3-dihydropyridin-5-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
7-(4-chlorophenyl)-2-[(2-methyl-2,3-dihydropyridin-5-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 430.90 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2-[(2-methyl-2,3-dihydropyridin-5-yl)methyl]-8-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 143072191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).