N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide

C21H23N3O5 — CID 11958695

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide
SMILESCCOc1c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2nn1CCOC
InChIInChI=1S/C21H23N3O5/c1-3-27-21-16-6-5-15(11-17(16)23-24(21)8-9-26-2)20(25)22-12-14-4-7-18-19(10-14)29-13-28-18/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,22,25)
InChIKeyRGBSTAYYVOCRDD-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.74
Rot. Bonds8

About N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide (PubChem CID 11958695) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide
PubChem CID11958695
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide
SMILESCCOc1c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2nn1CCOC
InChIInChI=1S/C21H23N3O5/c1-3-27-21-16-6-5-15(11-17(16)23-24(21)8-9-26-2)20(25)22-12-14-4-7-18-19(10-14)29-13-28-18/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,22,25)
InChIKeyRGBSTAYYVOCRDD-UHFFFAOYSA-N
XLogP2.74
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide (CID 11958695) is N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide is CCOc1c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2nn1CCOC.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide?
The InChIKey is RGBSTAYYVOCRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-3-27-21-16-6-5-15(11-17(16)23-24(21)8-9-26-2)20(25)22-12-14-4-7-18-19(10-14)29-13-28-18/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-ethoxy-2-(2-methoxyethyl)indazole-6-carboxamide is sourced from PubChem (CID 11958695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).