1-(3,4-dichlorophenyl)-6-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazine-3-carbonitrile

C23H22Cl2N6O2 — CID 44621659

IUPAC1-(3,4-dichlorophenyl)-6-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazine-3-carbonitrile
SMILESCCCc1cnc(N2CCC(Oc3cc(=O)n(-c4ccc(Cl)c(Cl)c4)nc3C#N)CC2)nc1
InChIInChI=1S/C23H22Cl2N6O2/c1-2-3-15-13-27-23(28-14-15)30-8-6-17(7-9-30)33-21-11-22(32)31(29-20(21)12-26)16-4-5-18(24)19(25)10-16/h4-5,10-11,13-14,17H,2-3,6-9H2,1H3
InChIKeyZJSNRQKZPQHAFS-UHFFFAOYSA-N
MW485.38 g/mol
LogP4.20
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-6-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazine-3-carbonitrile

1-(3,4-dichlorophenyl)-6-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazine-3-carbonitrile (PubChem CID 44621659) has the molecular formula C23H22Cl2N6O2 and a molecular weight of 485.38 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-6-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazine-3-carbonitrile.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-6-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazine-3-carbonitrile
PubChem CID44621659
Molecular FormulaC23H22Cl2N6O2
Molecular Weight485.38 g/mol
Exact Mass484.12
IUPAC Name1-(3,4-dichlorophenyl)-6-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazine-3-carbonitrile
SMILESCCCc1cnc(N2CCC(Oc3cc(=O)n(-c4ccc(Cl)c(Cl)c4)nc3C#N)CC2)nc1
InChIInChI=1S/C23H22Cl2N6O2/c1-2-3-15-13-27-23(28-14-15)30-8-6-17(7-9-30)33-21-11-22(32)31(29-20(21)12-26)16-4-5-18(24)19(25)10-16/h4-5,10-11,13-14,17H,2-3,6-9H2,1H3
InChIKeyZJSNRQKZPQHAFS-UHFFFAOYSA-N
XLogP4.20
TPSA96.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.38
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(3,4-dichlorophenyl)-6-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazine-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-6-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazine-3-carbonitrile?
The IUPAC name of 1-(3,4-dichlorophenyl)-6-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazine-3-carbonitrile (CID 44621659) is 1-(3,4-dichlorophenyl)-6-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazine-3-carbonitrile.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-6-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazine-3-carbonitrile?
The canonical SMILES for 1-(3,4-dichlorophenyl)-6-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazine-3-carbonitrile is CCCc1cnc(N2CCC(Oc3cc(=O)n(-c4ccc(Cl)c(Cl)c4)nc3C#N)CC2)nc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-6-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazine-3-carbonitrile?
The InChIKey is ZJSNRQKZPQHAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N6O2/c1-2-3-15-13-27-23(28-14-15)30-8-6-17(7-9-30)33-21-11-22(32)31(29-20(21)12-26)16-4-5-18(24)19(25)10-16/h4-5,10-11,13-14,17H,2-3,6-9H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-6-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazine-3-carbonitrile?
1-(3,4-dichlorophenyl)-6-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazine-3-carbonitrile has a molecular weight of 485.38 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-6-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazine-3-carbonitrile is sourced from PubChem (CID 44621659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).