1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propan-1-one

C23H34N6O — CID 20946910

IUPAC1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propan-1-one
SMILESCc1nn(-c2ccc(N3CCCCC3)nn2)c(C)c1CCC(=O)N1CCCCCC1
InChIInChI=1S/C23H34N6O/c1-18-20(10-13-23(30)28-16-6-3-4-7-17-28)19(2)29(26-18)22-12-11-21(24-25-22)27-14-8-5-9-15-27/h11-12H,3-10,13-17H2,1-2H3
InChIKeyMUHAZWHBUAWYFE-UHFFFAOYSA-N
MW410.57 g/mol
LogP3.60
Rot. Bonds5

About 1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propan-1-one

1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propan-1-one (PubChem CID 20946910) has the molecular formula C23H34N6O and a molecular weight of 410.57 g/mol. Its IUPAC name is 1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propan-1-one
PubChem CID20946910
Molecular FormulaC23H34N6O
Molecular Weight410.57 g/mol
Exact Mass410.28
IUPAC Name1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propan-1-one
SMILESCc1nn(-c2ccc(N3CCCCC3)nn2)c(C)c1CCC(=O)N1CCCCCC1
InChIInChI=1S/C23H34N6O/c1-18-20(10-13-23(30)28-16-6-3-4-7-17-28)19(2)29(26-18)22-12-11-21(24-25-22)27-14-8-5-9-15-27/h11-12H,3-10,13-17H2,1-2H3
InChIKeyMUHAZWHBUAWYFE-UHFFFAOYSA-N
XLogP3.60
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propan-1-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

1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propan-1-one
CID 20946972
3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 20946865
1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propan-1-one
CID 53069406
N-cyclohexyl-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide
CID 20946898
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)propanamide
CID 20946950
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide
CID 20946907
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-methoxyphenyl)propanamide
CID 20946897
3-[3,5-dimethyl-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 134354881
N-(3,4-difluorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide
CID 20946932
N-(4-acetamidophenyl)-3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanamide
CID 46339991
3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 50780492
2-methoxy-1-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121034137

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propan-1-one?
The IUPAC name of 1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propan-1-one (CID 20946910) is 1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propan-1-one.
What is the SMILES notation for 1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propan-1-one?
The canonical SMILES for 1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propan-1-one is Cc1nn(-c2ccc(N3CCCCC3)nn2)c(C)c1CCC(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propan-1-one?
The InChIKey is MUHAZWHBUAWYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O/c1-18-20(10-13-23(30)28-16-6-3-4-7-17-28)19(2)29(26-18)22-12-11-21(24-25-22)27-14-8-5-9-15-27/h11-12H,3-10,13-17H2,1-2H3.
What are the key properties of 1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propan-1-one?
1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propan-1-one has a molecular weight of 410.57 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propan-1-one is sourced from PubChem (CID 20946910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).