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

C25H24N4O4 — CID 90902802

IUPAC3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1ccc(C=Cc2n[nH]c3ccc(C(=O)NCc4cccnc4)c(OC)c23)cc1OC
InChIInChI=1S/C25H24N4O4/c1-31-21-11-7-16(13-22(21)32-2)6-9-19-23-20(29-28-19)10-8-18(24(23)33-3)25(30)27-15-17-5-4-12-26-14-17/h4-14H,15H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyXTDWSUSCLPHGMX-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.08
Rot. Bonds8

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

3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 90902802) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID90902802
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1ccc(C=Cc2n[nH]c3ccc(C(=O)NCc4cccnc4)c(OC)c23)cc1OC
InChIInChI=1S/C25H24N4O4/c1-31-21-11-7-16(13-22(21)32-2)6-9-19-23-20(29-28-19)10-8-18(24(23)33-3)25(30)27-15-17-5-4-12-26-14-17/h4-14H,15H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyXTDWSUSCLPHGMX-UHFFFAOYSA-N
XLogP4.08
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
N-[(3,4-dimethoxyphenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630316
3-benzyl-N-[(2,3-dimethoxyphenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630341
N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
CID 9910658
2-(3,4-dimethoxyphenyl)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-quinolinecarboxamide
CID 995083
((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'-(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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide (CID 90902802) is 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide is COc1ccc(C=Cc2n[nH]c3ccc(C(=O)NCc4cccnc4)c(OC)c23)cc1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is XTDWSUSCLPHGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-31-21-11-7-16(13-22(21)32-2)6-9-19-23-20(29-28-19)10-8-18(24(23)33-3)25(30)27-15-17-5-4-12-26-14-17/h4-14H,15H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide?
3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 90902802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).