1-benzyl-3-cyclopentyl-6-phenylmethoxyindazole

C26H26N2O — CID 67219602

IUPAC1-benzyl-3-cyclopentyl-6-phenylmethoxyindazole
SMILESc1ccc(COc2ccc3c(C4CCCC4)nn(Cc4ccccc4)c3c2)cc1
InChIInChI=1S/C26H26N2O/c1-3-9-20(10-4-1)18-28-25-17-23(29-19-21-11-5-2-6-12-21)15-16-24(25)26(27-28)22-13-7-8-14-22/h1-6,9-12,15-17,22H,7-8,13-14,18-19H2
InChIKeyFYBBETXSEGPCCB-UHFFFAOYSA-N
MW382.51 g/mol
LogP6.32
Rot. Bonds6

About 1-benzyl-3-cyclopentyl-6-phenylmethoxyindazole

1-benzyl-3-cyclopentyl-6-phenylmethoxyindazole (PubChem CID 67219602) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-benzyl-3-cyclopentyl-6-phenylmethoxyindazole.

Molecular Properties

Compound Name1-benzyl-3-cyclopentyl-6-phenylmethoxyindazole
PubChem CID67219602
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name1-benzyl-3-cyclopentyl-6-phenylmethoxyindazole
SMILESc1ccc(COc2ccc3c(C4CCCC4)nn(Cc4ccccc4)c3c2)cc1
InChIInChI=1S/C26H26N2O/c1-3-9-20(10-4-1)18-28-25-17-23(29-19-21-11-5-2-6-12-21)15-16-24(25)26(27-28)22-13-7-8-14-22/h1-6,9-12,15-17,22H,7-8,13-14,18-19H2
InChIKeyFYBBETXSEGPCCB-UHFFFAOYSA-N
XLogP6.32
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

butyl 3-cyclohexyl-6-phenylmethoxyindazole-1-carboxylate
CID 86626347
3-cyclohexyl-6-phenylmethoxy-1,2-benzothiazole;sulfuryl dichloride
CID 87793944
1-benzyl-3-(1-methylpiperidin-4-yl)indazole;hydrobromide
CID 14032592
3-cyclopentyl-1-(2-piperidin-1-ylethyl)indazol-6-ol
CID 135736086
3-(1-benzylpiperidin-4-yl)-1-ethylindazole
CID 67627191
[1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol
CID 23961585
magnesium;1-benzyl-3-(2-iodoethyl)-6-phenylmethoxyindol-2-olate;iodide
CID 134974609
2-benzyl-5-phenylmethoxy-1,3-dihydroisoindole
CID 171397259
11-benzyl-13-cyclohexyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one
CID 118723504
5-cyclopentyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole
CID 146533306
4-[1-ethyl-3-[(4-phenylmethoxyphenyl)methyl]pyrazol-5-yl]piperidine
CID 18187803
(1-benzyl-6-methoxyindazol-3-yl)-phenylmethanone
CID 10472547

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-cyclopentyl-6-phenylmethoxyindazole?
The IUPAC name of 1-benzyl-3-cyclopentyl-6-phenylmethoxyindazole (CID 67219602) is 1-benzyl-3-cyclopentyl-6-phenylmethoxyindazole.
What is the SMILES notation for 1-benzyl-3-cyclopentyl-6-phenylmethoxyindazole?
The canonical SMILES for 1-benzyl-3-cyclopentyl-6-phenylmethoxyindazole is c1ccc(COc2ccc3c(C4CCCC4)nn(Cc4ccccc4)c3c2)cc1.
What is the InChIKey of 1-benzyl-3-cyclopentyl-6-phenylmethoxyindazole?
The InChIKey is FYBBETXSEGPCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c1-3-9-20(10-4-1)18-28-25-17-23(29-19-21-11-5-2-6-12-21)15-16-24(25)26(27-28)22-13-7-8-14-22/h1-6,9-12,15-17,22H,7-8,13-14,18-19H2.
What are the key properties of 1-benzyl-3-cyclopentyl-6-phenylmethoxyindazole?
1-benzyl-3-cyclopentyl-6-phenylmethoxyindazole has a molecular weight of 382.51 g/mol, XLogP of 6.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-cyclopentyl-6-phenylmethoxyindazole is sourced from PubChem (CID 67219602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).