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

C24H23N5O4 — CID 91263669

IUPAC3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1ccc(C=Cc2n[nH]c3ccc(C(=O)NCc4cnccn4)c(OC)c23)cc1OC
InChIInChI=1S/C24H23N5O4/c1-31-20-9-5-15(12-21(20)32-2)4-7-18-22-19(29-28-18)8-6-17(23(22)33-3)24(30)27-14-16-13-25-10-11-26-16/h4-13H,14H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyFLQXPYWRWWJONL-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.48
Rot. Bonds8

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

3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 91263669) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID91263669
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC Name3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1ccc(C=Cc2n[nH]c3ccc(C(=O)NCc4cnccn4)c(OC)c23)cc1OC
InChIInChI=1S/C24H23N5O4/c1-31-20-9-5-15(12-21(20)32-2)4-7-18-22-19(29-28-18)8-6-17(23(22)33-3)24(30)27-14-16-13-25-10-11-26-16/h4-13H,14H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyFLQXPYWRWWJONL-UHFFFAOYSA-N
XLogP3.48
TPSA111.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(cyclopropyl(pyridin-2-yl)methyl)-3-(4-((1-formylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 86711045
N-(cyclopentyl(pyridin-2-yl)methyl)-3-(4-((1-methylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 89971850
3-benzyl-N-[(2,3-dimethoxyphenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630341
((2R,5S)-4-benzyl-2,5-dimethylpiperazin-1-yl)(6-methoxy-1H-indol-5-yl)methanone
CID 10091017
(4-Benzyl-piperazin-1-yl)-(6-methoxy-1H-indol-5-yl)-methanone
CID 25124305
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
7-methoxy-N-(1H-pyrazol-4-yl)quinoline-3-carboxamide
CID 155565549
methyl 2-cyano-5-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)benzoate
CID 56592176
2-cyano-5-(7,8-dimethoxy-3H-pyrazolo[3,4-c]quinolin-1-yl)benzoic acid
CID 56592257
N-[1-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]pyrazol-4-yl]pyridine-3-carboxamide
CID 42441800
((1R,3S)-4-Benzyl-2,5-dimethyl-piperazin-1-yl)-(6-methoxy-1H-indol-5-yl)-methanone
CID 44335417
N-[(3,4-Dimethoxyphenyl)methyl]-2-[5-(quinolin-6-YL)-1,3,4-oxadiazol-2-YL]acetamide
CID 53162198

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide (CID 91263669) is 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide is COc1ccc(C=Cc2n[nH]c3ccc(C(=O)NCc4cnccn4)c(OC)c23)cc1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is FLQXPYWRWWJONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-31-20-9-5-15(12-21(20)32-2)4-7-18-22-19(29-28-18)8-6-17(23(22)33-3)24(30)27-14-16-13-25-10-11-26-16/h4-13H,14H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide?
3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 445.48 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 91263669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).