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

C23H19N5O4 — CID 90951619

IUPAC3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2cnccn2)ccc2[nH]nc(C=Cc3ccc4c(c3)OCO4)c12
InChIInChI=1S/C23H19N5O4/c1-30-22-16(23(29)26-12-15-11-24-8-9-25-15)4-6-18-21(22)17(27-28-18)5-2-14-3-7-19-20(10-14)32-13-31-19/h2-11H,12-13H2,1H3,(H,26,29)(H,27,28)
InChIKeyJJKJOFKOYNANLA-UHFFFAOYSA-N
MW429.44 g/mol
LogP3.19
Rot. Bonds6

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

3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 90951619) has the molecular formula C23H19N5O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is 3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID90951619
Molecular FormulaC23H19N5O4
Molecular Weight429.44 g/mol
Exact Mass429.14
IUPAC Name3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2cnccn2)ccc2[nH]nc(C=Cc3ccc4c(c3)OCO4)c12
InChIInChI=1S/C23H19N5O4/c1-30-22-16(23(29)26-12-15-11-24-8-9-25-15)4-6-18-21(22)17(27-28-18)5-2-14-3-7-19-20(10-14)32-13-31-19/h2-11H,12-13H2,1H3,(H,26,29)(H,27,28)
InChIKeyJJKJOFKOYNANLA-UHFFFAOYSA-N
XLogP3.19
TPSA111.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-cyano-5-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)benzoate
CID 56592176
N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-(3-methyl-2H-indazol-5-yl)pyridine-2-carboxamide
CID 146208882
US11420973, Example 21
CID 154641121
(2S,8R)-2-(1,3-benzodioxol-5-yl)-6-methyl-13-(1H-pyrazol-5-yl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 70683122
N-(2,6-dimethylphenyl)-6-methoxy-3-(1-methylpyrazol-4-yl)-1H-indazole-5-carboxamide
CID 156198938
2-(1,3-benzodioxol-5-yl)-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-quinolinecarboxamide
CID 2168901
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](1H-indol-5-yl)methanone
CID 16423214
N-(1,3-benzodioxol-5-ylmethyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134138571
N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]pyridine-3-carboxamide
CID 22260765
3-(3-fluorophenyl)-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
CID 23589680
3-(3-fluorophenyl)-6-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
CID 23589684
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]-1H-indazole-5-carboxamide
CID 56591353

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide (CID 90951619) is 3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide is COc1c(C(=O)NCc2cnccn2)ccc2[nH]nc(C=Cc3ccc4c(c3)OCO4)c12.
What is the InChIKey of 3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is JJKJOFKOYNANLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4/c1-30-22-16(23(29)26-12-15-11-24-8-9-25-15)4-6-18-21(22)17(27-28-18)5-2-14-3-7-19-20(10-14)32-13-31-19/h2-11H,12-13H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide?
3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 90951619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).