8-(3-chlorophenyl)-6-[3-(1H-imidazol-2-yl)-3-oxopropyl]pyrido[2,3-d]pyridazin-5-one

C19H14ClN5O2 — CID 19700785

IUPAC8-(3-chlorophenyl)-6-[3-(1H-imidazol-2-yl)-3-oxopropyl]pyrido[2,3-d]pyridazin-5-one
SMILESO=C(CCn1nc(-c2cccc(Cl)c2)c2ncccc2c1=O)c1ncc[nH]1
InChIInChI=1S/C19H14ClN5O2/c20-13-4-1-3-12(11-13)16-17-14(5-2-7-21-17)19(27)25(24-16)10-6-15(26)18-22-8-9-23-18/h1-5,7-9,11H,6,10H2,(H,22,23)
InChIKeyCYRAVRYGZLKUKS-UHFFFAOYSA-N
MW379.81 g/mol
LogP3.11
Rot. Bonds5

About 8-(3-chlorophenyl)-6-[3-(1H-imidazol-2-yl)-3-oxopropyl]pyrido[2,3-d]pyridazin-5-one

8-(3-chlorophenyl)-6-[3-(1H-imidazol-2-yl)-3-oxopropyl]pyrido[2,3-d]pyridazin-5-one (PubChem CID 19700785) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is 8-(3-chlorophenyl)-6-[3-(1H-imidazol-2-yl)-3-oxopropyl]pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name8-(3-chlorophenyl)-6-[3-(1H-imidazol-2-yl)-3-oxopropyl]pyrido[2,3-d]pyridazin-5-one
PubChem CID19700785
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC Name8-(3-chlorophenyl)-6-[3-(1H-imidazol-2-yl)-3-oxopropyl]pyrido[2,3-d]pyridazin-5-one
SMILESO=C(CCn1nc(-c2cccc(Cl)c2)c2ncccc2c1=O)c1ncc[nH]1
InChIInChI=1S/C19H14ClN5O2/c20-13-4-1-3-12(11-13)16-17-14(5-2-7-21-17)19(27)25(24-16)10-6-15(26)18-22-8-9-23-18/h1-5,7-9,11H,6,10H2,(H,22,23)
InChIKeyCYRAVRYGZLKUKS-UHFFFAOYSA-N
XLogP3.11
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(3-chlorophenyl)-6-[3-(1H-imidazol-2-yl)-3-oxopropyl]pyrido[2,3-d]pyridazin-5-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

methyl 3-(6-ethyl-5-oxopyrido[2,3-d]pyridazin-8-yl)benzoate
CID 19700821
2-butyl-4-(3-chlorophenyl)phthalazin-1-one
CID 86166030
5-(3-chlorophenyl)-7-[(1-oxidopyridin-1-ium-4-yl)methyl]pyrido[2,3-d]pyridazin-8-one
CID 19700967
4-(1-oxo-4-pyridin-3-ylphthalazin-2-yl)butanoyl chloride
CID 10314393
2-(3-chloropropyl)-4-(3-fluorophenyl)phthalazin-1-one
CID 142711548
[7-(2,4-dichlorophenyl)-2-methylindazol-3-yl]-(1H-imidazol-2-yl)methanone
CID 58988229
8-(1,3-benzodioxol-5-yl)-6-ethylpyrido[2,3-d]pyridazin-5-one
CID 19700773
3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-N-naphthalen-1-ylpropanamide
CID 3846453
2-(4-chlorobutyl)-4-(4-chlorophenyl)phthalazin-1-one
CID 142711589
3-(3-chlorophenyl)-1-methylpyrazole-4-carboxylic acid
CID 43141384
N-benzyl-3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide
CID 1287300
8-(3-bromophenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one
CID 54006808

Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorophenyl)-6-[3-(1H-imidazol-2-yl)-3-oxopropyl]pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 8-(3-chlorophenyl)-6-[3-(1H-imidazol-2-yl)-3-oxopropyl]pyrido[2,3-d]pyridazin-5-one (CID 19700785) is 8-(3-chlorophenyl)-6-[3-(1H-imidazol-2-yl)-3-oxopropyl]pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 8-(3-chlorophenyl)-6-[3-(1H-imidazol-2-yl)-3-oxopropyl]pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 8-(3-chlorophenyl)-6-[3-(1H-imidazol-2-yl)-3-oxopropyl]pyrido[2,3-d]pyridazin-5-one is O=C(CCn1nc(-c2cccc(Cl)c2)c2ncccc2c1=O)c1ncc[nH]1.
What is the InChIKey of 8-(3-chlorophenyl)-6-[3-(1H-imidazol-2-yl)-3-oxopropyl]pyrido[2,3-d]pyridazin-5-one?
The InChIKey is CYRAVRYGZLKUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c20-13-4-1-3-12(11-13)16-17-14(5-2-7-21-17)19(27)25(24-16)10-6-15(26)18-22-8-9-23-18/h1-5,7-9,11H,6,10H2,(H,22,23).
What are the key properties of 8-(3-chlorophenyl)-6-[3-(1H-imidazol-2-yl)-3-oxopropyl]pyrido[2,3-d]pyridazin-5-one?
8-(3-chlorophenyl)-6-[3-(1H-imidazol-2-yl)-3-oxopropyl]pyrido[2,3-d]pyridazin-5-one has a molecular weight of 379.81 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorophenyl)-6-[3-(1H-imidazol-2-yl)-3-oxopropyl]pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 19700785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).