3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide

C24H20N4O4 — CID 90874648

IUPAC3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2cccnc2)ccc2[nH]nc(C=Cc3ccc4c(c3)OCO4)c12
InChIInChI=1S/C24H20N4O4/c1-30-23-17(24(29)26-13-16-3-2-10-25-12-16)6-8-19-22(23)18(27-28-19)7-4-15-5-9-20-21(11-15)32-14-31-20/h2-12H,13-14H2,1H3,(H,26,29)(H,27,28)
InChIKeyVZUKCUAFFLNHLJ-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.80
Rot. Bonds6

About 3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide

3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 90874648) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is 3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID90874648
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2cccnc2)ccc2[nH]nc(C=Cc3ccc4c(c3)OCO4)c12
InChIInChI=1S/C24H20N4O4/c1-30-23-17(24(29)26-13-16-3-2-10-25-12-16)6-8-19-22(23)18(27-28-19)7-4-15-5-9-20-21(11-15)32-14-31-20/h2-12H,13-14H2,1H3,(H,26,29)(H,27,28)
InChIKeyVZUKCUAFFLNHLJ-UHFFFAOYSA-N
XLogP3.80
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-yl)-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137631322
N-[(3,4-Dimethoxyphenyl)methyl]-2-[5-(quinolin-6-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53162198
N-[3-hydroxy-1-(3-methoxyphenyl)propyl]-2-(1H-indazol-5-yl)pyridine-4-carboxamide
CID 146208861
N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide
CID 146208882
N-[1-(3-methoxyphenyl)-2-(propan-2-ylamino)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide
CID 146208904
N-[1-(3-methoxyphenyl)-2-(methylamino)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide
CID 146209021
US11420973, Example 24
CID 150051227
US11420973, Example 22
CID 150113431
US11420973, Example 51
CID 152142610
US11420973, Example 50
CID 154641078
N-(1,3-benzodioxol-5-yl)-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-2H-indazole-5-carboxamide
CID 135567433
N-(1,3-benzodioxol-5-ylmethyl)-1H-indole-5-carboxamide
CID 17586341

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide (CID 90874648) is 3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide is COc1c(C(=O)NCc2cccnc2)ccc2[nH]nc(C=Cc3ccc4c(c3)OCO4)c12.
What is the InChIKey of 3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is VZUKCUAFFLNHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-30-23-17(24(29)26-13-16-3-2-10-25-12-16)6-8-19-22(23)18(27-28-19)7-4-15-5-9-20-21(11-15)32-14-31-20/h2-12H,13-14H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide?
3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 90874648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).