2-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]indazole

C22H24N6O — CID 56968343

IUPAC2-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]indazole
SMILESCOc1ccc(Cn2nnnc2-c2c3ccccc3nn2C2CCCCC2)cc1
InChIInChI=1S/C22H24N6O/c1-29-18-13-11-16(12-14-18)15-27-22(23-25-26-27)21-19-9-5-6-10-20(19)24-28(21)17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3
InChIKeySAYXXFGNSGNNDN-UHFFFAOYSA-N
MW388.48 g/mol
LogP4.25
Rot. Bonds5

About 2-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]indazole

2-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]indazole (PubChem CID 56968343) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 2-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]indazole.

Molecular Properties

Compound Name2-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]indazole
PubChem CID56968343
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name2-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]indazole
SMILESCOc1ccc(Cn2nnnc2-c2c3ccccc3nn2C2CCCCC2)cc1
InChIInChI=1S/C22H24N6O/c1-29-18-13-11-16(12-14-18)15-27-22(23-25-26-27)21-19-9-5-6-10-20(19)24-28(21)17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3
InChIKeySAYXXFGNSGNNDN-UHFFFAOYSA-N
XLogP4.25
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)indazole
CID 11645597
5-(2-chlorophenyl)-1-[(4-methoxyphenyl)methyl]tetrazole
CID 23019982
1-cyclohexyl-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine
CID 1446772
1-cyclohexyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazine
CID 1446720
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 3228988
2-[(4-methoxyphenyl)methyl]benzotriazole
CID 3828598
1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclopentylpiperazine
CID 3209716
7-chloro-1-cyclopentyl-3-[(4-methoxyphenyl)methyl]indazole
CID 68885759
5-[4-(difluoromethyl)phenyl]-1-[(4-methoxyphenyl)methyl]tetrazole
CID 154721135
5-(5-bromofuran-2-yl)-1-[(4-methoxyphenyl)methyl]tetrazole
CID 23020046
1-cyclohexyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]tetrazole
CID 647011
1-cyclohexyl-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 3209976

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]indazole?
The IUPAC name of 2-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]indazole (CID 56968343) is 2-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]indazole.
What is the SMILES notation for 2-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]indazole?
The canonical SMILES for 2-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]indazole is COc1ccc(Cn2nnnc2-c2c3ccccc3nn2C2CCCCC2)cc1.
What is the InChIKey of 2-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]indazole?
The InChIKey is SAYXXFGNSGNNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-29-18-13-11-16(12-14-18)15-27-22(23-25-26-27)21-19-9-5-6-10-20(19)24-28(21)17-7-3-2-4-8-17/h5-6,9-14,17H,2-4,7-8,15H2,1H3.
What are the key properties of 2-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]indazole?
2-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]indazole has a molecular weight of 388.48 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]indazole is sourced from PubChem (CID 56968343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).