[3-(6-chloropyridazin-3-yl)indol-1-yl]-cyclohexylmethanone

C19H18ClN3O — CID 2768099

IUPAC[3-(6-chloropyridazin-3-yl)indol-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)n1cc(-c2ccc(Cl)nn2)c2ccccc21
InChIInChI=1S/C19H18ClN3O/c20-18-11-10-16(21-22-18)15-12-23(17-9-5-4-8-14(15)17)19(24)13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2
InChIKeyJSQPWTHSNPRQLE-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.97
Rot. Bonds2

About [3-(6-chloropyridazin-3-yl)indol-1-yl]-cyclohexylmethanone

[3-(6-chloropyridazin-3-yl)indol-1-yl]-cyclohexylmethanone (PubChem CID 2768099) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is [3-(6-chloropyridazin-3-yl)indol-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[3-(6-chloropyridazin-3-yl)indol-1-yl]-cyclohexylmethanone
PubChem CID2768099
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name[3-(6-chloropyridazin-3-yl)indol-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)n1cc(-c2ccc(Cl)nn2)c2ccccc21
InChIInChI=1S/C19H18ClN3O/c20-18-11-10-16(21-22-18)15-12-23(17-9-5-4-8-14(15)17)19(24)13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2
InChIKeyJSQPWTHSNPRQLE-UHFFFAOYSA-N
XLogP4.97
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(6-chloropyridazin-3-yl)indol-1-yl]-cyclohexylmethanone 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

1-[1-(cyclohexanecarbonyl)indol-3-yl]ethanone
CID 3715013
(3-aminoindol-1-yl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 112527022
1-(cyclohexanecarbonyl)-4-ethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 67876393
2-(3-chloroindol-1-yl)-1-cyclopentylethanone
CID 104751384
5-(cyclobutanecarbonyl)phenanthridin-6-one
CID 23118677
[1-[(2-chlorophenyl)methyl]indol-3-yl]-cyclohexylmethanone
CID 4319147
4-but-1-enyl-1-(cyclohexanecarbonyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 67876397
2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate
CID 3428348
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 110346395
(3S)-N-benzhydryl-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
CID 51955070
6-chloro-N-(1-cyclohexylethyl)pyridazine-3-carboxamide
CID 55069123
1-[3-[3-(cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]indol-1-yl]ethanone
CID 138535975

Frequently Asked Questions

What is the IUPAC name of [3-(6-chloropyridazin-3-yl)indol-1-yl]-cyclohexylmethanone?
The IUPAC name of [3-(6-chloropyridazin-3-yl)indol-1-yl]-cyclohexylmethanone (CID 2768099) is [3-(6-chloropyridazin-3-yl)indol-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [3-(6-chloropyridazin-3-yl)indol-1-yl]-cyclohexylmethanone?
The canonical SMILES for [3-(6-chloropyridazin-3-yl)indol-1-yl]-cyclohexylmethanone is O=C(C1CCCCC1)n1cc(-c2ccc(Cl)nn2)c2ccccc21.
What is the InChIKey of [3-(6-chloropyridazin-3-yl)indol-1-yl]-cyclohexylmethanone?
The InChIKey is JSQPWTHSNPRQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-18-11-10-16(21-22-18)15-12-23(17-9-5-4-8-14(15)17)19(24)13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2.
What are the key properties of [3-(6-chloropyridazin-3-yl)indol-1-yl]-cyclohexylmethanone?
[3-(6-chloropyridazin-3-yl)indol-1-yl]-cyclohexylmethanone has a molecular weight of 339.83 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-chloropyridazin-3-yl)indol-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 2768099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).