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3-[3-cyclobutyl-2-cyclohexyl-1-cyclopentyl-5-(1H-imidazol-2-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-4H-pyridazin-3-yl]-1,2-oxazole

C34H41N7O — CID 141219817

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[3-cyclobutyl-2-cyclohexyl-1-cyclopentyl-5-(1H-imidazol-2-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-4H-pyridazin-3-yl]-1,2-oxazole
SMILESc1ccc(C2=C(c3ncc[nH]3)C(c3ccn[nH]3)C(c3ccon3)(C3CCC3)N(C3CCCCC3)N2C2CCCC2)cc1
InChIInChI=1S/C34H41N7O/c1-3-10-24(11-4-1)32-30(33-35-21-22-36-33)31(28-18-20-37-38-28)34(25-12-9-13-25,29-19-23-42-39-29)41(27-16-5-2-6-17-27)40(32)26-14-7-8-15-26/h1,3-4,10-11,18-23,25-27,31H,2,5-9,12-17H2,(H,35,36)(H,37,38)
InChIKeyBLGRINFGLSMCKZ-UHFFFAOYSA-N
MW563.75 g/mol
LogP7.28
Rot. Bonds7

About 3-[3-cyclobutyl-2-cyclohexyl-1-cyclopentyl-5-(1H-imidazol-2-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-4H-pyridazin-3-yl]-1,2-oxazole

3-[3-cyclobutyl-2-cyclohexyl-1-cyclopentyl-5-(1H-imidazol-2-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-4H-pyridazin-3-yl]-1,2-oxazole (PubChem CID 141219817) has the molecular formula C34H41N7O and a molecular weight of 563.75 g/mol. Its IUPAC name is 3-[3-cyclobutyl-2-cyclohexyl-1-cyclopentyl-5-(1H-imidazol-2-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-4H-pyridazin-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[3-cyclobutyl-2-cyclohexyl-1-cyclopentyl-5-(1H-imidazol-2-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-4H-pyridazin-3-yl]-1,2-oxazole
PubChem CID141219817
Molecular FormulaC34H41N7O
Molecular Weight563.75 g/mol
Exact Mass563.34
IUPAC Name3-[3-cyclobutyl-2-cyclohexyl-1-cyclopentyl-5-(1H-imidazol-2-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-4H-pyridazin-3-yl]-1,2-oxazole
SMILESc1ccc(C2=C(c3ncc[nH]3)C(c3ccn[nH]3)C(c3ccon3)(C3CCC3)N(C3CCCCC3)N2C2CCCC2)cc1
InChIInChI=1S/C34H41N7O/c1-3-10-24(11-4-1)32-30(33-35-21-22-36-33)31(28-18-20-37-38-28)34(25-12-9-13-25,29-19-23-42-39-29)41(27-16-5-2-6-17-27)40(32)26-14-7-8-15-26/h1,3-4,10-11,18-23,25-27,31H,2,5-9,12-17H2,(H,35,36)(H,37,38)
InChIKeyBLGRINFGLSMCKZ-UHFFFAOYSA-N
XLogP7.28
TPSA89.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.75
LogP ≤ 57.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[3-cyclobutyl-2-cyclohexyl-1-cyclopentyl-5-(1H-imidazol-2-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-4H-pyridazin-3-yl]-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-cyclobutyl-2-cyclohexyl-1-cyclopentyl-5-(1H-imidazol-2-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-4H-pyridazin-3-yl]-1,2-oxazole?
The IUPAC name of 3-[3-cyclobutyl-2-cyclohexyl-1-cyclopentyl-5-(1H-imidazol-2-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-4H-pyridazin-3-yl]-1,2-oxazole (CID 141219817) is 3-[3-cyclobutyl-2-cyclohexyl-1-cyclopentyl-5-(1H-imidazol-2-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-4H-pyridazin-3-yl]-1,2-oxazole.
What is the SMILES notation for 3-[3-cyclobutyl-2-cyclohexyl-1-cyclopentyl-5-(1H-imidazol-2-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-4H-pyridazin-3-yl]-1,2-oxazole?
The canonical SMILES for 3-[3-cyclobutyl-2-cyclohexyl-1-cyclopentyl-5-(1H-imidazol-2-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-4H-pyridazin-3-yl]-1,2-oxazole is c1ccc(C2=C(c3ncc[nH]3)C(c3ccn[nH]3)C(c3ccon3)(C3CCC3)N(C3CCCCC3)N2C2CCCC2)cc1.
What is the InChIKey of 3-[3-cyclobutyl-2-cyclohexyl-1-cyclopentyl-5-(1H-imidazol-2-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-4H-pyridazin-3-yl]-1,2-oxazole?
The InChIKey is BLGRINFGLSMCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N7O/c1-3-10-24(11-4-1)32-30(33-35-21-22-36-33)31(28-18-20-37-38-28)34(25-12-9-13-25,29-19-23-42-39-29)41(27-16-5-2-6-17-27)40(32)26-14-7-8-15-26/h1,3-4,10-11,18-23,25-27,31H,2,5-9,12-17H2,(H,35,36)(H,37,38).
What are the key properties of 3-[3-cyclobutyl-2-cyclohexyl-1-cyclopentyl-5-(1H-imidazol-2-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-4H-pyridazin-3-yl]-1,2-oxazole?
3-[3-cyclobutyl-2-cyclohexyl-1-cyclopentyl-5-(1H-imidazol-2-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-4H-pyridazin-3-yl]-1,2-oxazole has a molecular weight of 563.75 g/mol, XLogP of 7.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-cyclobutyl-2-cyclohexyl-1-cyclopentyl-5-(1H-imidazol-2-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-4H-pyridazin-3-yl]-1,2-oxazole is sourced from PubChem (CID 141219817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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