2-(4-chlorophenyl)-3-[cyclohexyl-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]methyl]indazole

C28H27ClN6O — CID 45111519

IUPAC2-(4-chlorophenyl)-3-[cyclohexyl-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]methyl]indazole
SMILESClc1ccc(-n2nc3ccccc3c2C(OCc2ccc(-c3nn[nH]n3)cc2)C2CCCCC2)cc1
InChIInChI=1S/C28H27ClN6O/c29-22-14-16-23(17-15-22)35-26(24-8-4-5-9-25(24)32-35)27(20-6-2-1-3-7-20)36-18-19-10-12-21(13-11-19)28-30-33-34-31-28/h4-5,8-17,20,27H,1-3,6-7,18H2,(H,30,31,33,34)
InChIKeyWZVQADNUERHYKM-UHFFFAOYSA-N
MW499.02 g/mol
LogP6.70
Rot. Bonds7

About 2-(4-chlorophenyl)-3-[cyclohexyl-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]methyl]indazole

2-(4-chlorophenyl)-3-[cyclohexyl-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]methyl]indazole (PubChem CID 45111519) has the molecular formula C28H27ClN6O and a molecular weight of 499.02 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[cyclohexyl-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]methyl]indazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[cyclohexyl-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]methyl]indazole
PubChem CID45111519
Molecular FormulaC28H27ClN6O
Molecular Weight499.02 g/mol
Exact Mass498.19
IUPAC Name2-(4-chlorophenyl)-3-[cyclohexyl-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]methyl]indazole
SMILESClc1ccc(-n2nc3ccccc3c2C(OCc2ccc(-c3nn[nH]n3)cc2)C2CCCCC2)cc1
InChIInChI=1S/C28H27ClN6O/c29-22-14-16-23(17-15-22)35-26(24-8-4-5-9-25(24)32-35)27(20-6-2-1-3-7-20)36-18-19-10-12-21(13-11-19)28-30-33-34-31-28/h4-5,8-17,20,27H,1-3,6-7,18H2,(H,30,31,33,34)
InChIKeyWZVQADNUERHYKM-UHFFFAOYSA-N
XLogP6.70
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.02
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-chlorophenyl)-3-[cyclohexyl-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]methyl]indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[cyclohexyl-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]methyl]indazole?
The IUPAC name of 2-(4-chlorophenyl)-3-[cyclohexyl-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]methyl]indazole (CID 45111519) is 2-(4-chlorophenyl)-3-[cyclohexyl-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]methyl]indazole.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[cyclohexyl-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]methyl]indazole?
The canonical SMILES for 2-(4-chlorophenyl)-3-[cyclohexyl-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]methyl]indazole is Clc1ccc(-n2nc3ccccc3c2C(OCc2ccc(-c3nn[nH]n3)cc2)C2CCCCC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-[cyclohexyl-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]methyl]indazole?
The InChIKey is WZVQADNUERHYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN6O/c29-22-14-16-23(17-15-22)35-26(24-8-4-5-9-25(24)32-35)27(20-6-2-1-3-7-20)36-18-19-10-12-21(13-11-19)28-30-33-34-31-28/h4-5,8-17,20,27H,1-3,6-7,18H2,(H,30,31,33,34).
What are the key properties of 2-(4-chlorophenyl)-3-[cyclohexyl-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]methyl]indazole?
2-(4-chlorophenyl)-3-[cyclohexyl-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]methyl]indazole has a molecular weight of 499.02 g/mol, XLogP of 6.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-[cyclohexyl-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]methyl]indazole is sourced from PubChem (CID 45111519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).