3-ethoxy-2-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]indazole-6-carboxamide

C21H25N3O4 — CID 11958693

IUPAC3-ethoxy-2-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]indazole-6-carboxamide
SMILESCCOc1c2ccc(C(=O)NCc3ccc(OC)cc3)cc2nn1CCOC
InChIInChI=1S/C21H25N3O4/c1-4-28-21-18-10-7-16(13-19(18)23-24(21)11-12-26-2)20(25)22-14-15-5-8-17(27-3)9-6-15/h5-10,13H,4,11-12,14H2,1-3H3,(H,22,25)
InChIKeyQVFBFJBVJQMDOB-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.02
Rot. Bonds9

About 3-ethoxy-2-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]indazole-6-carboxamide

3-ethoxy-2-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]indazole-6-carboxamide (PubChem CID 11958693) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-ethoxy-2-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]indazole-6-carboxamide.

Molecular Properties

Compound Name3-ethoxy-2-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]indazole-6-carboxamide
PubChem CID11958693
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name3-ethoxy-2-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]indazole-6-carboxamide
SMILESCCOc1c2ccc(C(=O)NCc3ccc(OC)cc3)cc2nn1CCOC
InChIInChI=1S/C21H25N3O4/c1-4-28-21-18-10-7-16(13-19(18)23-24(21)11-12-26-2)20(25)22-14-15-5-8-17(27-3)9-6-15/h5-10,13H,4,11-12,14H2,1-3H3,(H,22,25)
InChIKeyQVFBFJBVJQMDOB-UHFFFAOYSA-N
XLogP3.02
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]indazole-6-carboxamide?
The IUPAC name of 3-ethoxy-2-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]indazole-6-carboxamide (CID 11958693) is 3-ethoxy-2-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]indazole-6-carboxamide.
What is the SMILES notation for 3-ethoxy-2-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]indazole-6-carboxamide?
The canonical SMILES for 3-ethoxy-2-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]indazole-6-carboxamide is CCOc1c2ccc(C(=O)NCc3ccc(OC)cc3)cc2nn1CCOC.
What is the InChIKey of 3-ethoxy-2-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]indazole-6-carboxamide?
The InChIKey is QVFBFJBVJQMDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-4-28-21-18-10-7-16(13-19(18)23-24(21)11-12-26-2)20(25)22-14-15-5-8-17(27-3)9-6-15/h5-10,13H,4,11-12,14H2,1-3H3,(H,22,25).
What are the key properties of 3-ethoxy-2-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]indazole-6-carboxamide?
3-ethoxy-2-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]indazole-6-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-(2-methoxyethyl)-N-[(4-methoxyphenyl)methyl]indazole-6-carboxamide is sourced from PubChem (CID 11958693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).