6-butyl-5-(4-cyclohexyloxyphenyl)-N-(3,3-difluoro-1-methylpiperidin-4-yl)pyridazine-3-carboxamide;dihydrochloride

C27H38Cl2F2N4O2 — CID 67372759

IUPAC6-butyl-5-(4-cyclohexyloxyphenyl)-N-(3,3-difluoro-1-methylpiperidin-4-yl)pyridazine-3-carboxamide;dihydrochloride
SMILESCCCCc1nnc(C(=O)NC2CCN(C)CC2(F)F)cc1-c1ccc(OC2CCCCC2)cc1.Cl.Cl
InChIInChI=1S/C27H36F2N4O2.2ClH/c1-3-4-10-23-22(19-11-13-21(14-12-19)35-20-8-6-5-7-9-20)17-24(32-31-23)26(34)30-25-15-16-33(2)18-27(25,28)29;;/h11-14,17,20,25H,3-10,15-16,18H2,1-2H3,(H,30,34);2*1H
InChIKeyYKMNKYDPPVBKEC-UHFFFAOYSA-N
MW559.53 g/mol
LogP6.11
Rot. Bonds8

About 6-butyl-5-(4-cyclohexyloxyphenyl)-N-(3,3-difluoro-1-methylpiperidin-4-yl)pyridazine-3-carboxamide;dihydrochloride

6-butyl-5-(4-cyclohexyloxyphenyl)-N-(3,3-difluoro-1-methylpiperidin-4-yl)pyridazine-3-carboxamide;dihydrochloride (PubChem CID 67372759) has the molecular formula C27H38Cl2F2N4O2 and a molecular weight of 559.53 g/mol. Its IUPAC name is 6-butyl-5-(4-cyclohexyloxyphenyl)-N-(3,3-difluoro-1-methylpiperidin-4-yl)pyridazine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-butyl-5-(4-cyclohexyloxyphenyl)-N-(3,3-difluoro-1-methylpiperidin-4-yl)pyridazine-3-carboxamide;dihydrochloride
PubChem CID67372759
Molecular FormulaC27H38Cl2F2N4O2
Molecular Weight559.53 g/mol
Exact Mass558.23
IUPAC Name6-butyl-5-(4-cyclohexyloxyphenyl)-N-(3,3-difluoro-1-methylpiperidin-4-yl)pyridazine-3-carboxamide;dihydrochloride
SMILESCCCCc1nnc(C(=O)NC2CCN(C)CC2(F)F)cc1-c1ccc(OC2CCCCC2)cc1.Cl.Cl
InChIInChI=1S/C27H36F2N4O2.2ClH/c1-3-4-10-23-22(19-11-13-21(14-12-19)35-20-8-6-5-7-9-20)17-24(32-31-23)26(34)30-25-15-16-33(2)18-27(25,28)29;;/h11-14,17,20,25H,3-10,15-16,18H2,1-2H3,(H,30,34);2*1H
InChIKeyYKMNKYDPPVBKEC-UHFFFAOYSA-N
XLogP6.11
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.53
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-butyl-5-(4-cyclohexyloxyphenyl)-N-(3,3-difluoro-1-methylpiperidin-4-yl)pyridazine-3-carboxamide;dihydrochloride with MolForge

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Related Compounds

6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(3,3-difluoro-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide
CID 58438425
6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(4-methoxy-1-methylpiperidin-4-yl)methyl]pyridazine-3-carboxamide;dihydrochloride
CID 67374483
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
3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(3R)-1-methylpyrrolidin-3-yl]oxypyridazine;dihydrochloride
CID 67373246
6-butyl-5-(4-cyclohexyloxyphenyl)-N-[[(3S)-3-fluoropiperidin-4-yl]methyl]pyridazine-3-carboxamide
CID 67374134
4-[[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxymethyl]-1-methylpiperidin-3-ol;dihydrochloride
CID 67374764
6-butyl-5-(4-cyclohexyloxyphenyl)-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyridazine-3-carboxamide
CID 53372199
ethyl 3-[4-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]oxypiperidin-1-yl]propanoate;dihydrochloride
CID 67373658
3-butyl-4-(4-cyclohexyloxyphenyl)-6-[2-[(2S)-1-methylpiperidin-2-yl]ethoxy]pyridazine
CID 58438368
bis(3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4,4-difluoropiperidin-3-yl)methoxy]pyridazine);dihydrochloride
CID 173066713
[2-(azidomethyl)morpholin-4-yl]-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yl]methanone
CID 123965555

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-(4-cyclohexyloxyphenyl)-N-(3,3-difluoro-1-methylpiperidin-4-yl)pyridazine-3-carboxamide;dihydrochloride?
The IUPAC name of 6-butyl-5-(4-cyclohexyloxyphenyl)-N-(3,3-difluoro-1-methylpiperidin-4-yl)pyridazine-3-carboxamide;dihydrochloride (CID 67372759) is 6-butyl-5-(4-cyclohexyloxyphenyl)-N-(3,3-difluoro-1-methylpiperidin-4-yl)pyridazine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 6-butyl-5-(4-cyclohexyloxyphenyl)-N-(3,3-difluoro-1-methylpiperidin-4-yl)pyridazine-3-carboxamide;dihydrochloride?
The canonical SMILES for 6-butyl-5-(4-cyclohexyloxyphenyl)-N-(3,3-difluoro-1-methylpiperidin-4-yl)pyridazine-3-carboxamide;dihydrochloride is CCCCc1nnc(C(=O)NC2CCN(C)CC2(F)F)cc1-c1ccc(OC2CCCCC2)cc1.Cl.Cl.
What is the InChIKey of 6-butyl-5-(4-cyclohexyloxyphenyl)-N-(3,3-difluoro-1-methylpiperidin-4-yl)pyridazine-3-carboxamide;dihydrochloride?
The InChIKey is YKMNKYDPPVBKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36F2N4O2.2ClH/c1-3-4-10-23-22(19-11-13-21(14-12-19)35-20-8-6-5-7-9-20)17-24(32-31-23)26(34)30-25-15-16-33(2)18-27(25,28)29;;/h11-14,17,20,25H,3-10,15-16,18H2,1-2H3,(H,30,34);2*1H.
What are the key properties of 6-butyl-5-(4-cyclohexyloxyphenyl)-N-(3,3-difluoro-1-methylpiperidin-4-yl)pyridazine-3-carboxamide;dihydrochloride?
6-butyl-5-(4-cyclohexyloxyphenyl)-N-(3,3-difluoro-1-methylpiperidin-4-yl)pyridazine-3-carboxamide;dihydrochloride has a molecular weight of 559.53 g/mol, XLogP of 6.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-(4-cyclohexyloxyphenyl)-N-(3,3-difluoro-1-methylpiperidin-4-yl)pyridazine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 67372759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).