3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4,4-difluoro-1-methylpiperidin-3-yl)methoxy]pyridazine

C27H37F2N3O2 — CID 58438409

IUPAC3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4,4-difluoro-1-methylpiperidin-3-yl)methoxy]pyridazine
SMILESCCCCc1nnc(OCC2CN(C)CCC2(F)F)cc1-c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C27H37F2N3O2/c1-3-4-10-25-24(20-11-13-23(14-12-20)34-22-8-6-5-7-9-22)17-26(31-30-25)33-19-21-18-32(2)16-15-27(21,28)29/h11-14,17,21-22H,3-10,15-16,18-19H2,1-2H3
InChIKeyPQPHNGFOVSXFCR-UHFFFAOYSA-N
MW473.61 g/mol
LogP6.16
Rot. Bonds9

About 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4,4-difluoro-1-methylpiperidin-3-yl)methoxy]pyridazine

3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4,4-difluoro-1-methylpiperidin-3-yl)methoxy]pyridazine (PubChem CID 58438409) has the molecular formula C27H37F2N3O2 and a molecular weight of 473.61 g/mol. Its IUPAC name is 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4,4-difluoro-1-methylpiperidin-3-yl)methoxy]pyridazine.

Molecular Properties

Compound Name3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4,4-difluoro-1-methylpiperidin-3-yl)methoxy]pyridazine
PubChem CID58438409
Molecular FormulaC27H37F2N3O2
Molecular Weight473.61 g/mol
Exact Mass473.29
IUPAC Name3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4,4-difluoro-1-methylpiperidin-3-yl)methoxy]pyridazine
SMILESCCCCc1nnc(OCC2CN(C)CCC2(F)F)cc1-c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C27H37F2N3O2/c1-3-4-10-25-24(20-11-13-23(14-12-20)34-22-8-6-5-7-9-22)17-26(31-30-25)33-19-21-18-32(2)16-15-27(21,28)29/h11-14,17,21-22H,3-10,15-16,18-19H2,1-2H3
InChIKeyPQPHNGFOVSXFCR-UHFFFAOYSA-N
XLogP6.16
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.61
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4,4-difluoro-1-methylpiperidin-3-yl)methoxy]pyridazine 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 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4,4-difluoro-1-methylpiperidin-3-yl)methoxy]pyridazine?
The IUPAC name of 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4,4-difluoro-1-methylpiperidin-3-yl)methoxy]pyridazine (CID 58438409) is 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4,4-difluoro-1-methylpiperidin-3-yl)methoxy]pyridazine.
What is the SMILES notation for 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4,4-difluoro-1-methylpiperidin-3-yl)methoxy]pyridazine?
The canonical SMILES for 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4,4-difluoro-1-methylpiperidin-3-yl)methoxy]pyridazine is CCCCc1nnc(OCC2CN(C)CCC2(F)F)cc1-c1ccc(OC2CCCCC2)cc1.
What is the InChIKey of 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4,4-difluoro-1-methylpiperidin-3-yl)methoxy]pyridazine?
The InChIKey is PQPHNGFOVSXFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37F2N3O2/c1-3-4-10-25-24(20-11-13-23(14-12-20)34-22-8-6-5-7-9-22)17-26(31-30-25)33-19-21-18-32(2)16-15-27(21,28)29/h11-14,17,21-22H,3-10,15-16,18-19H2,1-2H3.
What are the key properties of 3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4,4-difluoro-1-methylpiperidin-3-yl)methoxy]pyridazine?
3-butyl-4-(4-cyclohexyloxyphenyl)-6-[(4,4-difluoro-1-methylpiperidin-3-yl)methoxy]pyridazine has a molecular weight of 473.61 g/mol, XLogP of 6.16, 9 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-[(4,4-difluoro-1-methylpiperidin-3-yl)methoxy]pyridazine is sourced from PubChem (CID 58438409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).