3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-indazole

C25H23N3O3 — CID 164625387

IUPAC3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-indazole
SMILESCOc1cc(-c2ccc3[nH]nc(-c4ccc5c(ccn5C)c4)c3c2)cc(OC)c1OC
InChIInChI=1S/C25H23N3O3/c1-28-10-9-16-11-17(6-8-21(16)28)24-19-12-15(5-7-20(19)26-27-24)18-13-22(29-2)25(31-4)23(14-18)30-3/h5-14H,1-4H3,(H,26,27)
InChIKeyWVFLTLGTNSENBP-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.41
Rot. Bonds5

About 3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-indazole

3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-indazole (PubChem CID 164625387) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-indazole.

Molecular Properties

Compound Name3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-indazole
PubChem CID164625387
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-indazole
SMILESCOc1cc(-c2ccc3[nH]nc(-c4ccc5c(ccn5C)c4)c3c2)cc(OC)c1OC
InChIInChI=1S/C25H23N3O3/c1-28-10-9-16-11-17(6-8-21(16)28)24-19-12-15(5-7-20(19)26-27-24)18-13-22(29-2)25(31-4)23(14-18)30-3/h5-14H,1-4H3,(H,26,27)
InChIKeyWVFLTLGTNSENBP-UHFFFAOYSA-N
XLogP5.41
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-5-[1-(3,4,5-trimethoxyphenyl)ethyl]indole
CID 52914800
1-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]indole-3-carbonitrile
CID 145980793
(NE)-N-[[1-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidene]hydroxylamine
CID 145988046
3-(9H-carbazol-9-yl)-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]propanehydrazide
CID 6866140
1-Methyl-5-[(Z)-2-(3,4,5-trimethoxy-phenyl)-vinyl]-1H-indole
CID 11255762
(NZ)-N-[(1-methylindol-5-yl)-(2,3,4-trimethoxyphenyl)methylidene]hydroxylamine
CID 45113907
1-Methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indole
CID 68331747
1-Methyl-5-[1-(2,3,4-trimethoxyphenyl)ethyl]indole
CID 71604542
1-Methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indole-3-carbonitrile
CID 71604693
1-Methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indole-3-carbonitrile
CID 71604695
1-Methyl-5-[1-(2,3,4-trimethoxyphenyl)ethenyl]indole
CID 71606867
[1-Methyl-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidenehydrazine
CID 73348273

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-indazole?
The IUPAC name of 3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-indazole (CID 164625387) is 3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-indazole.
What is the SMILES notation for 3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-indazole?
The canonical SMILES for 3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-indazole is COc1cc(-c2ccc3[nH]nc(-c4ccc5c(ccn5C)c4)c3c2)cc(OC)c1OC.
What is the InChIKey of 3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-indazole?
The InChIKey is WVFLTLGTNSENBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-28-10-9-16-11-17(6-8-21(16)28)24-19-12-15(5-7-20(19)26-27-24)18-13-22(29-2)25(31-4)23(14-18)30-3/h5-14H,1-4H3,(H,26,27).
What are the key properties of 3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-indazole?
3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-indazole has a molecular weight of 413.48 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-indazole is sourced from PubChem (CID 164625387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).