2-cyclohexyl-4-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one

C26H26N8O2 — CID 67947279

IUPAC2-cyclohexyl-4-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one
SMILESCOc1n[nH]c(=O)c2c1nc(C1CCCCC1)n2Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C26H26N8O2/c1-36-26-21-22(25(35)30-31-26)34(24(27-21)18-7-3-2-4-8-18)15-16-11-13-17(14-12-16)19-9-5-6-10-20(19)23-28-32-33-29-23/h5-6,9-14,18H,2-4,7-8,15H2,1H3,(H,30,35)(H,28,29,32,33)
InChIKeyDBFPYDHLOVTATL-UHFFFAOYSA-N
MW482.55 g/mol
LogP4.07
Rot. Bonds6

About 2-cyclohexyl-4-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one

2-cyclohexyl-4-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one (PubChem CID 67947279) has the molecular formula C26H26N8O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 2-cyclohexyl-4-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one.

Molecular Properties

Compound Name2-cyclohexyl-4-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one
PubChem CID67947279
Molecular FormulaC26H26N8O2
Molecular Weight482.55 g/mol
Exact Mass482.22
IUPAC Name2-cyclohexyl-4-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one
SMILESCOc1n[nH]c(=O)c2c1nc(C1CCCCC1)n2Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C26H26N8O2/c1-36-26-21-22(25(35)30-31-26)34(24(27-21)18-7-3-2-4-8-18)15-16-11-13-17(14-12-16)19-9-5-6-10-20(19)23-28-32-33-29-23/h5-6,9-14,18H,2-4,7-8,15H2,1H3,(H,30,35)(H,28,29,32,33)
InChIKeyDBFPYDHLOVTATL-UHFFFAOYSA-N
XLogP4.07
TPSA127.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[2-cyclohexyl-7-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-4-yl] cyclohexanecarboxylate
CID 67946847
2-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydroimidazo[4,5-d]pyridazine-4,7-dione
CID 67946842
[4-(cyclohexanecarbonyloxy)-2-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazin-7-yl] cyclohexanecarboxylate
CID 67947139
[4-benzoyloxy-2-cyclohexyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-d]pyridazin-7-yl] benzoate
CID 67947088
[7-oxo-2-propan-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-4-yl] cyclohexanecarboxylate
CID 67947172
8-cyclohexyl-1,3-dipropyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 54567126
8-cyclohexyl-3-ethyl-1-(2-methoxyethyl)-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 67911511
8-cyclohexyl-1-ethyl-3-(1-methoxyethyl)-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 67911737
8-cyclohexyl-1-ethyl-3-methyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 54168737
8-cyclohexyl-3-ethyl-1-methyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 54084999
4-(1-methoxyethoxy)-2-propan-2-yl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one
CID 67947369
8-cyclohexyl-1-(1-methoxyethyl)-3-(1-phenylethyl)-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]purine-2,6-dione
CID 67911277

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one?
The IUPAC name of 2-cyclohexyl-4-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one (CID 67947279) is 2-cyclohexyl-4-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one.
What is the SMILES notation for 2-cyclohexyl-4-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one?
The canonical SMILES for 2-cyclohexyl-4-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one is COc1n[nH]c(=O)c2c1nc(C1CCCCC1)n2Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-cyclohexyl-4-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one?
The InChIKey is DBFPYDHLOVTATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O2/c1-36-26-21-22(25(35)30-31-26)34(24(27-21)18-7-3-2-4-8-18)15-16-11-13-17(14-12-16)19-9-5-6-10-20(19)23-28-32-33-29-23/h5-6,9-14,18H,2-4,7-8,15H2,1H3,(H,30,35)(H,28,29,32,33).
What are the key properties of 2-cyclohexyl-4-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one?
2-cyclohexyl-4-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one has a molecular weight of 482.55 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 67947279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).