2-(3,4-dichlorophenyl)-5-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazin-3-one

C22H23Cl2N5O2 — CID 44620995

IUPAC2-(3,4-dichlorophenyl)-5-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazin-3-one
SMILESCCCc1cnc(N2CCC(Oc3cnn(-c4ccc(Cl)c(Cl)c4)c(=O)c3)CC2)nc1
InChIInChI=1S/C22H23Cl2N5O2/c1-2-3-15-12-25-22(26-13-15)28-8-6-17(7-9-28)31-18-11-21(30)29(27-14-18)16-4-5-19(23)20(24)10-16/h4-5,10-14,17H,2-3,6-9H2,1H3
InChIKeyHULUTEQBGKOKRV-UHFFFAOYSA-N
MW460.37 g/mol
LogP4.33
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-5-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazin-3-one

2-(3,4-dichlorophenyl)-5-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazin-3-one (PubChem CID 44620995) has the molecular formula C22H23Cl2N5O2 and a molecular weight of 460.37 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazin-3-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazin-3-one
PubChem CID44620995
Molecular FormulaC22H23Cl2N5O2
Molecular Weight460.37 g/mol
Exact Mass459.12
IUPAC Name2-(3,4-dichlorophenyl)-5-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazin-3-one
SMILESCCCc1cnc(N2CCC(Oc3cnn(-c4ccc(Cl)c(Cl)c4)c(=O)c3)CC2)nc1
InChIInChI=1S/C22H23Cl2N5O2/c1-2-3-15-12-25-22(26-13-15)28-8-6-17(7-9-28)31-18-11-21(30)29(27-14-18)16-4-5-19(23)20(24)10-16/h4-5,10-14,17H,2-3,6-9H2,1H3
InChIKeyHULUTEQBGKOKRV-UHFFFAOYSA-N
XLogP4.33
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.37
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-Dichlorophenyl)-6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]pyridazin-3-one
CID 134129971
2-(3,4-Dichlorophenyl)-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]pyridazin-3-one
CID 134131272
1-(3,4-Dichlorophenyl)-6-oxo-4-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]oxypyridazine-3-carbonitrile
CID 44620993
1-(3-Fluoro-4-isocyanophenyl)-6-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazine-3-carbonitrile
CID 58483085
1-(3,4-Dichlorophenyl)-4-[1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]piperidin-4-yl]oxy-6-oxopyridazine-3-carbonitrile
CID 71255960
2-(3,4-Dichlorophenyl)-6-(methyliminomethyl)-5-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]oxypyridazin-3-one
CID 91615729
2-(3,4-Dichlorophenyl)-6-methanimidoyl-5-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]oxypyridazin-3-one
CID 143928258
4-Chloro-2-{4-[2-(3-chloro-phenylamino)-pyrimidin-4-yl]-pyridin-2-yl}-5-ethoxy-2H-pyridazin-3-one
CID 17989691
4-(1-(5-Cyclopropylpyrimidin-2-yl)piperidin-4-yloxy)-1-(3,4-dichlorophenyl)-6-oxo-1,6-dihydropyridazine-3-carbonitrile
CID 44621658
1-(3,4-Dichlorophenyl)-6-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazine-3-carbonitrile
CID 44621659
4-[1-(5-Chloropyrimidin-2-yl)piperidin-4-yl]oxy-1-(3,4-dichlorophenyl)-6-oxopyridazine-3-carbonitrile
CID 44621660
1-(3,4-Dichlorophenyl)-4-[1-(5-iodopyrimidin-2-yl)piperidin-4-yl]oxy-6-oxopyridazine-3-carbonitrile
CID 44621661

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-5-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazin-3-one?
The IUPAC name of 2-(3,4-dichlorophenyl)-5-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazin-3-one (CID 44620995) is 2-(3,4-dichlorophenyl)-5-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazin-3-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazin-3-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazin-3-one is CCCc1cnc(N2CCC(Oc3cnn(-c4ccc(Cl)c(Cl)c4)c(=O)c3)CC2)nc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazin-3-one?
The InChIKey is HULUTEQBGKOKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N5O2/c1-2-3-15-12-25-22(26-13-15)28-8-6-17(7-9-28)31-18-11-21(30)29(27-14-18)16-4-5-19(23)20(24)10-16/h4-5,10-14,17H,2-3,6-9H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-5-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazin-3-one?
2-(3,4-dichlorophenyl)-5-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazin-3-one has a molecular weight of 460.37 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-5-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazin-3-one is sourced from PubChem (CID 44620995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).