2-[4-[[2-(3,4-dichlorophenyl)-1H-pyridazin-5-yl]oxy]piperidin-1-yl]-5-propylpyrimidine

C22H25Cl2N5O — CID 154460847

IUPAC2-[4-[[2-(3,4-dichlorophenyl)-1H-pyridazin-5-yl]oxy]piperidin-1-yl]-5-propylpyrimidine
SMILESCCCc1cnc(N2CCC(OC3=CNN(c4ccc(Cl)c(Cl)c4)C=C3)CC2)nc1
InChIInChI=1S/C22H25Cl2N5O/c1-2-3-16-13-25-22(26-14-16)28-9-6-18(7-10-28)30-19-8-11-29(27-15-19)17-4-5-20(23)21(24)12-17/h4-5,8,11-15,18,27H,2-3,6-7,9-10H2,1H3
InChIKeyANXVKIUAKAQTTE-UHFFFAOYSA-N
MW446.38 g/mol
LogP5.10
Rot. Bonds6

About 2-[4-[[2-(3,4-dichlorophenyl)-1H-pyridazin-5-yl]oxy]piperidin-1-yl]-5-propylpyrimidine

2-[4-[[2-(3,4-dichlorophenyl)-1H-pyridazin-5-yl]oxy]piperidin-1-yl]-5-propylpyrimidine (PubChem CID 154460847) has the molecular formula C22H25Cl2N5O and a molecular weight of 446.38 g/mol. Its IUPAC name is 2-[4-[[2-(3,4-dichlorophenyl)-1H-pyridazin-5-yl]oxy]piperidin-1-yl]-5-propylpyrimidine.

Molecular Properties

Compound Name2-[4-[[2-(3,4-dichlorophenyl)-1H-pyridazin-5-yl]oxy]piperidin-1-yl]-5-propylpyrimidine
PubChem CID154460847
Molecular FormulaC22H25Cl2N5O
Molecular Weight446.38 g/mol
Exact Mass445.14
IUPAC Name2-[4-[[2-(3,4-dichlorophenyl)-1H-pyridazin-5-yl]oxy]piperidin-1-yl]-5-propylpyrimidine
SMILESCCCc1cnc(N2CCC(OC3=CNN(c4ccc(Cl)c(Cl)c4)C=C3)CC2)nc1
InChIInChI=1S/C22H25Cl2N5O/c1-2-3-16-13-25-22(26-14-16)28-9-6-18(7-10-28)30-19-8-11-29(27-15-19)17-4-5-20(23)21(24)12-17/h4-5,8,11-15,18,27H,2-3,6-7,9-10H2,1H3
InChIKeyANXVKIUAKAQTTE-UHFFFAOYSA-N
XLogP5.10
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.38
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[2-(3,4-dichlorophenyl)-1H-pyridazin-5-yl]oxy]piperidin-1-yl]-5-propylpyrimidine with MolForge

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Related Compounds

1-(4-methylsulfanylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one
CID 57468392
5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 2811492
1-(3-methyl-4-methylsulfonylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one
CID 57468407
[1-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 54596883
4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1-[4-(3,3,3-trifluoro-2-oxopropyl)phenyl]pyridin-2-one
CID 58458104
4-[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]oxy-2-(3,4-dichlorophenyl)-6-oxo-1,5-dihydropyridazine-3-carbonitrile
CID 67072582
2-[4-(1,2-dihydropyridin-4-yloxy)piperidin-1-yl]-5-ethylpyrimidine
CID 142711209
5-phenyl-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-2-one
CID 67369617
2-piperidin-1-yl-5-propylpyrimidine
CID 123831355
2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine
CID 138988924
2-(4-tert-butylpiperidin-1-yl)-5-propylpyrimidine
CID 131998952
N-[2-fluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1-pyridinyl]phenyl]-2-methylpropanamide;molecular hydrogen
CID 161233672

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3,4-dichlorophenyl)-1H-pyridazin-5-yl]oxy]piperidin-1-yl]-5-propylpyrimidine?
The IUPAC name of 2-[4-[[2-(3,4-dichlorophenyl)-1H-pyridazin-5-yl]oxy]piperidin-1-yl]-5-propylpyrimidine (CID 154460847) is 2-[4-[[2-(3,4-dichlorophenyl)-1H-pyridazin-5-yl]oxy]piperidin-1-yl]-5-propylpyrimidine.
What is the SMILES notation for 2-[4-[[2-(3,4-dichlorophenyl)-1H-pyridazin-5-yl]oxy]piperidin-1-yl]-5-propylpyrimidine?
The canonical SMILES for 2-[4-[[2-(3,4-dichlorophenyl)-1H-pyridazin-5-yl]oxy]piperidin-1-yl]-5-propylpyrimidine is CCCc1cnc(N2CCC(OC3=CNN(c4ccc(Cl)c(Cl)c4)C=C3)CC2)nc1.
What is the InChIKey of 2-[4-[[2-(3,4-dichlorophenyl)-1H-pyridazin-5-yl]oxy]piperidin-1-yl]-5-propylpyrimidine?
The InChIKey is ANXVKIUAKAQTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N5O/c1-2-3-16-13-25-22(26-14-16)28-9-6-18(7-10-28)30-19-8-11-29(27-15-19)17-4-5-20(23)21(24)12-17/h4-5,8,11-15,18,27H,2-3,6-7,9-10H2,1H3.
What are the key properties of 2-[4-[[2-(3,4-dichlorophenyl)-1H-pyridazin-5-yl]oxy]piperidin-1-yl]-5-propylpyrimidine?
2-[4-[[2-(3,4-dichlorophenyl)-1H-pyridazin-5-yl]oxy]piperidin-1-yl]-5-propylpyrimidine has a molecular weight of 446.38 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3,4-dichlorophenyl)-1H-pyridazin-5-yl]oxy]piperidin-1-yl]-5-propylpyrimidine is sourced from PubChem (CID 154460847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).