N-benzyl-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide

C20H23N3O3 — CID 11958688

IUPACN-benzyl-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide
SMILESCCOc1c2ccc(C(=O)NCc3ccccc3)cc2nn1CCOC
InChIInChI=1S/C20H23N3O3/c1-3-26-20-17-10-9-16(13-18(17)22-23(20)11-12-25-2)19(24)21-14-15-7-5-4-6-8-15/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,24)
InChIKeyFQJXYLZZAAHNIN-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.01
Rot. Bonds8

About N-benzyl-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide

N-benzyl-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide (PubChem CID 11958688) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-benzyl-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide
PubChem CID11958688
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-benzyl-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide
SMILESCCOc1c2ccc(C(=O)NCc3ccccc3)cc2nn1CCOC
InChIInChI=1S/C20H23N3O3/c1-3-26-20-17-10-9-16(13-18(17)22-23(20)11-12-25-2)19(24)21-14-15-7-5-4-6-8-15/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,24)
InChIKeyFQJXYLZZAAHNIN-UHFFFAOYSA-N
XLogP3.01
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide?
The IUPAC name of N-benzyl-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide (CID 11958688) is N-benzyl-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide.
What is the SMILES notation for N-benzyl-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide?
The canonical SMILES for N-benzyl-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide is CCOc1c2ccc(C(=O)NCc3ccccc3)cc2nn1CCOC.
What is the InChIKey of N-benzyl-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide?
The InChIKey is FQJXYLZZAAHNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-26-20-17-10-9-16(13-18(17)22-23(20)11-12-25-2)19(24)21-14-15-7-5-4-6-8-15/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,24).
What are the key properties of N-benzyl-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide?
N-benzyl-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide is sourced from PubChem (CID 11958688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).