3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide

C24H21N5O4 — CID 90919554

IUPAC3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2cnccn2)ccc2[nH]nc(C=Cc3ccc4c(c3)OCCO4)c12
InChIInChI=1S/C24H21N5O4/c1-31-23-17(24(30)27-14-16-13-25-8-9-26-16)4-6-19-22(23)18(28-29-19)5-2-15-3-7-20-21(12-15)33-11-10-32-20/h2-9,12-13H,10-11,14H2,1H3,(H,27,30)(H,28,29)
InChIKeyZSVMOWXLUPPADR-UHFFFAOYSA-N
MW443.46 g/mol
LogP3.23
Rot. Bonds6

About 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide

3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 90919554) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID90919554
Molecular FormulaC24H21N5O4
Molecular Weight443.46 g/mol
Exact Mass443.16
IUPAC Name3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2cnccn2)ccc2[nH]nc(C=Cc3ccc4c(c3)OCCO4)c12
InChIInChI=1S/C24H21N5O4/c1-31-23-17(24(30)27-14-16-13-25-8-9-26-16)4-6-19-22(23)18(28-29-19)5-2-15-3-7-20-21(12-15)33-11-10-32-20/h2-9,12-13H,10-11,14H2,1H3,(H,27,30)(H,28,29)
InChIKeyZSVMOWXLUPPADR-UHFFFAOYSA-N
XLogP3.23
TPSA111.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1-Methyl-1H-pyrazol-5-yl)-2-[(phenyl methyl)oxy]-N-3-pyridinylbenzamide
CID 67107000
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CID 86711045
N-(cyclopentyl(pyridin-2-yl)methyl)-3-(4-((1-methylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 89971850
3-[4-[[(1S,5R)-8-formyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-N-(3-methyl-1-pyridin-2-ylbutyl)-1H-indazole-5-carboxamide
CID 118735386
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450452
1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1-methylpyrazol-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884798
1-[4-[4-[4-[2-(3,4-dimethoxyphenyl)-6-(1H-indazol-5-yl)pyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798381
N-(2-phenoxypropyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 127047159
N-(2-phenoxyethyl)-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 127047563
methyl 2-cyano-5-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)benzoate
CID 56592176
N-[(3,4-Dimethoxyphenyl)methyl]-2-[5-(quinolin-6-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53162198
2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid [2-(6-methoxy-[1,5]naphthyridin-4-yl)-4,5,6,7-tetrahydro-2H-indazol-5-yl]-amide
CID 11948557

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide (CID 90919554) is 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide is COc1c(C(=O)NCc2cnccn2)ccc2[nH]nc(C=Cc3ccc4c(c3)OCCO4)c12.
What is the InChIKey of 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is ZSVMOWXLUPPADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4/c1-31-23-17(24(30)27-14-16-13-25-8-9-26-16)4-6-19-22(23)18(28-29-19)5-2-15-3-7-20-21(12-15)33-11-10-32-20/h2-9,12-13H,10-11,14H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide?
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 443.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 90919554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).