2-(cyclooctylmethyl)-4-methoxy-N-(2-methoxyethyl)indazole-5-carboxamide

C21H31N3O3 — CID 134188881

IUPAC2-(cyclooctylmethyl)-4-methoxy-N-(2-methoxyethyl)indazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2nn(CC3CCCCCCC3)cc2c1OC
InChIInChI=1S/C21H31N3O3/c1-26-13-12-22-21(25)17-10-11-19-18(20(17)27-2)15-24(23-19)14-16-8-6-4-3-5-7-9-16/h10-11,15-16H,3-9,12-14H2,1-2H3,(H,22,25)
InChIKeyWDNOYBFDADZCIR-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.78
Rot. Bonds7

About 2-(cyclooctylmethyl)-4-methoxy-N-(2-methoxyethyl)indazole-5-carboxamide

2-(cyclooctylmethyl)-4-methoxy-N-(2-methoxyethyl)indazole-5-carboxamide (PubChem CID 134188881) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-(cyclooctylmethyl)-4-methoxy-N-(2-methoxyethyl)indazole-5-carboxamide.

Molecular Properties

Compound Name2-(cyclooctylmethyl)-4-methoxy-N-(2-methoxyethyl)indazole-5-carboxamide
PubChem CID134188881
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name2-(cyclooctylmethyl)-4-methoxy-N-(2-methoxyethyl)indazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2nn(CC3CCCCCCC3)cc2c1OC
InChIInChI=1S/C21H31N3O3/c1-26-13-12-22-21(25)17-10-11-19-18(20(17)27-2)15-24(23-19)14-16-8-6-4-3-5-7-9-16/h10-11,15-16H,3-9,12-14H2,1-2H3,(H,22,25)
InChIKeyWDNOYBFDADZCIR-UHFFFAOYSA-N
XLogP3.78
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclooctylmethyl)-4-methoxy-N-(2-methoxyethyl)indazole-5-carboxamide?
The IUPAC name of 2-(cyclooctylmethyl)-4-methoxy-N-(2-methoxyethyl)indazole-5-carboxamide (CID 134188881) is 2-(cyclooctylmethyl)-4-methoxy-N-(2-methoxyethyl)indazole-5-carboxamide.
What is the SMILES notation for 2-(cyclooctylmethyl)-4-methoxy-N-(2-methoxyethyl)indazole-5-carboxamide?
The canonical SMILES for 2-(cyclooctylmethyl)-4-methoxy-N-(2-methoxyethyl)indazole-5-carboxamide is COCCNC(=O)c1ccc2nn(CC3CCCCCCC3)cc2c1OC.
What is the InChIKey of 2-(cyclooctylmethyl)-4-methoxy-N-(2-methoxyethyl)indazole-5-carboxamide?
The InChIKey is WDNOYBFDADZCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-26-13-12-22-21(25)17-10-11-19-18(20(17)27-2)15-24(23-19)14-16-8-6-4-3-5-7-9-16/h10-11,15-16H,3-9,12-14H2,1-2H3,(H,22,25).
What are the key properties of 2-(cyclooctylmethyl)-4-methoxy-N-(2-methoxyethyl)indazole-5-carboxamide?
2-(cyclooctylmethyl)-4-methoxy-N-(2-methoxyethyl)indazole-5-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclooctylmethyl)-4-methoxy-N-(2-methoxyethyl)indazole-5-carboxamide is sourced from PubChem (CID 134188881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).