4-cyclohexyloxy-3-(furan-3-yl)-1-tritylpyrazolo[4,3-c]pyridine

C35H31N3O2 — CID 59619118

IUPAC4-cyclohexyloxy-3-(furan-3-yl)-1-tritylpyrazolo[4,3-c]pyridine
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)n2nc(-c3ccoc3)c3c(OC4CCCCC4)nccc32)cc1
InChIInChI=1S/C35H31N3O2/c1-5-13-27(14-6-1)35(28-15-7-2-8-16-28,29-17-9-3-10-18-29)38-31-21-23-36-34(40-30-19-11-4-12-20-30)32(31)33(37-38)26-22-24-39-25-26/h1-3,5-10,13-18,21-25,30H,4,11-12,19-20H2
InChIKeyZAJDWGYNMXZROW-UHFFFAOYSA-N
MW525.65 g/mol
LogP8.24
Rot. Bonds7

About 4-cyclohexyloxy-3-(furan-3-yl)-1-tritylpyrazolo[4,3-c]pyridine

4-cyclohexyloxy-3-(furan-3-yl)-1-tritylpyrazolo[4,3-c]pyridine (PubChem CID 59619118) has the molecular formula C35H31N3O2 and a molecular weight of 525.65 g/mol. Its IUPAC name is 4-cyclohexyloxy-3-(furan-3-yl)-1-tritylpyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-cyclohexyloxy-3-(furan-3-yl)-1-tritylpyrazolo[4,3-c]pyridine
PubChem CID59619118
Molecular FormulaC35H31N3O2
Molecular Weight525.65 g/mol
Exact Mass525.24
IUPAC Name4-cyclohexyloxy-3-(furan-3-yl)-1-tritylpyrazolo[4,3-c]pyridine
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)n2nc(-c3ccoc3)c3c(OC4CCCCC4)nccc32)cc1
InChIInChI=1S/C35H31N3O2/c1-5-13-27(14-6-1)35(28-15-7-2-8-16-28,29-17-9-3-10-18-29)38-31-21-23-36-34(40-30-19-11-4-12-20-30)32(31)33(37-38)26-22-24-39-25-26/h1-3,5-10,13-18,21-25,30H,4,11-12,19-20H2
InChIKeyZAJDWGYNMXZROW-UHFFFAOYSA-N
XLogP8.24
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.65
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-cyclohexyloxy-3-(furan-3-yl)-1-tritylpyrazolo[4,3-c]pyridine with MolForge

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Related Compounds

3-(3H-isoindol-5-yl)-4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridine
CID 66826839
4-(oxan-4-yloxy)-3-(3-propan-2-ylbenzimidazol-5-yl)-1-tritylpyrazolo[4,3-c]pyridine
CID 71007805
4-[6-[4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 66825310
3-ethyl-6-methyl-4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridine
CID 123593101
5-cyclohexyloxy-3-(furan-2-yl)-6-phenyl-1,2,4-triazine
CID 6404745
2-cyclopentyloxy-3-fluoropyridine
CID 126955068
4-(chloromethyl)-2-cyclohexyloxy-3-fluoropyridine
CID 105383733
2-cyclohexyloxypyridine-3-carbaldehyde
CID 42553139
magnesium;cyclohexyloxybenzene;hydride
CID 174438663
1-methyl-4-(oxan-4-yloxy)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazolo[4,3-c]pyridine
CID 71037327
[4-(oxan-4-yloxy)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazolo[4,3-c]pyridin-1-yl]thallium
CID 163440095
3-[2-[1-(trifluoromethyl)cyclopropyl]-4-pyridinyl]-1-tritylindazole
CID 151212964

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-3-(furan-3-yl)-1-tritylpyrazolo[4,3-c]pyridine?
The IUPAC name of 4-cyclohexyloxy-3-(furan-3-yl)-1-tritylpyrazolo[4,3-c]pyridine (CID 59619118) is 4-cyclohexyloxy-3-(furan-3-yl)-1-tritylpyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-cyclohexyloxy-3-(furan-3-yl)-1-tritylpyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-cyclohexyloxy-3-(furan-3-yl)-1-tritylpyrazolo[4,3-c]pyridine is c1ccc(C(c2ccccc2)(c2ccccc2)n2nc(-c3ccoc3)c3c(OC4CCCCC4)nccc32)cc1.
What is the InChIKey of 4-cyclohexyloxy-3-(furan-3-yl)-1-tritylpyrazolo[4,3-c]pyridine?
The InChIKey is ZAJDWGYNMXZROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N3O2/c1-5-13-27(14-6-1)35(28-15-7-2-8-16-28,29-17-9-3-10-18-29)38-31-21-23-36-34(40-30-19-11-4-12-20-30)32(31)33(37-38)26-22-24-39-25-26/h1-3,5-10,13-18,21-25,30H,4,11-12,19-20H2.
What are the key properties of 4-cyclohexyloxy-3-(furan-3-yl)-1-tritylpyrazolo[4,3-c]pyridine?
4-cyclohexyloxy-3-(furan-3-yl)-1-tritylpyrazolo[4,3-c]pyridine has a molecular weight of 525.65 g/mol, XLogP of 8.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-3-(furan-3-yl)-1-tritylpyrazolo[4,3-c]pyridine is sourced from PubChem (CID 59619118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).