3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyridazine;dihydrochloride

C25H37Cl2N3O2 — CID 67373246

IUPAC3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyridazine;dihydrochloride
SMILESCCCCc1nnc(O[C@@H]2CCN(C)C2)cc1-c1ccc(OC2CCCCC2)cc1.Cl.Cl
InChIInChI=1S/C25H35N3O2.2ClH/c1-3-4-10-24-23(17-25(27-26-24)30-22-15-16-28(2)18-22)19-11-13-21(14-12-19)29-20-8-6-5-7-9-20;;/h11-14,17,20,22H,3-10,15-16,18H2,1-2H3;2*1H/t22-;;/m1../s1
InChIKeyHZBDBBFUCHCOEQ-GJICFQLNSA-N
MW482.50 g/mol
LogP6.12
Rot. Bonds8

About 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyridazine;dihydrochloride

3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyridazine;dihydrochloride (PubChem CID 67373246) has the molecular formula C25H37Cl2N3O2 and a molecular weight of 482.50 g/mol. Its IUPAC name is 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyridazine;dihydrochloride.

Molecular Properties

Compound Name3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyridazine;dihydrochloride
PubChem CID67373246
Molecular FormulaC25H37Cl2N3O2
Molecular Weight482.50 g/mol
Exact Mass481.23
IUPAC Name3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyridazine;dihydrochloride
SMILESCCCCc1nnc(O[C@@H]2CCN(C)C2)cc1-c1ccc(OC2CCCCC2)cc1.Cl.Cl
InChIInChI=1S/C25H35N3O2.2ClH/c1-3-4-10-24-23(17-25(27-26-24)30-22-15-16-28(2)18-22)19-11-13-21(14-12-19)29-20-8-6-5-7-9-20;;/h11-14,17,20,22H,3-10,15-16,18H2,1-2H3;2*1H/t22-;;/m1../s1
InChIKeyHZBDBBFUCHCOEQ-GJICFQLNSA-N
XLogP6.12
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.50
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]-1-methylpiperidin-3-ol;dihydrochloride
CID 67374764
ethyl 3-[4-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxypiperidin-1-yl]propanoate;dihydrochloride
CID 67373658
(3S,6R)-3-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxy-8-methyl-8-azabicyclo[3.2.1]octan-6-ol;dihydrochloride
CID 67387313
3-butyl-4-(4-cyclohexyloxyphenyl)-6-[2-[(2S)-1-methylpiperidin-2-yl]ethoxy]pyridazine
CID 58438368
3-butyl-6-(1-methylpiperidin-4-yl)oxy-4-(4-phenylmethoxyphenyl)pyridazine;dihydrochloride
CID 67379020
6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(4-hydroxy-1-methylpiperidin-3-yl)methyl]pyridazine-3-carboxamide
CID 58438430
6-butyl-5-(4-cyclohexyloxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)pyridazine-3-carboxamide
CID 58438360
(3S,4R)-3-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]piperidin-4-ol
CID 86657806
3-butyl-4-(4-cyclohexyloxyphenyl)-6-[[(3R,4S)-3-methoxypiperidin-4-yl]methoxy]pyridazine
CID 67375121
3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(3-methoxypiperidin-4-yl)methoxy]pyridazine
CID 67375119
6-butyl-5-(4-cyclohexyloxyphenyl)-N-(3,3-difluoro-1-methylpiperidin-4-yl)pyridazine-3-carboxamide;dihydrochloride
CID 67372759
bis(3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4,4-difluoropiperidin-3-yl)methoxy]pyridazine);dihydrochloride
CID 173066713

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyridazine;dihydrochloride?
The IUPAC name of 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyridazine;dihydrochloride (CID 67373246) is 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyridazine;dihydrochloride.
What is the SMILES notation for 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyridazine;dihydrochloride?
The canonical SMILES for 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyridazine;dihydrochloride is CCCCc1nnc(O[C@@H]2CCN(C)C2)cc1-c1ccc(OC2CCCCC2)cc1.Cl.Cl.
What is the InChIKey of 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyridazine;dihydrochloride?
The InChIKey is HZBDBBFUCHCOEQ-GJICFQLNSA-N. The full InChI is InChI=1S/C25H35N3O2.2ClH/c1-3-4-10-24-23(17-25(27-26-24)30-22-15-16-28(2)18-22)19-11-13-21(14-12-19)29-20-8-6-5-7-9-20;;/h11-14,17,20,22H,3-10,15-16,18H2,1-2H3;2*1H/t22-;;/m1../s1.
What are the key properties of 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyridazine;dihydrochloride?
3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyridazine;dihydrochloride has a molecular weight of 482.50 g/mol, XLogP of 6.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyridazine;dihydrochloride is sourced from PubChem (CID 67373246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).