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

C25H23N3O3 — CID 164623102

IUPAC5-(1-methylindol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole
SMILESCOc1cc(-c2n[nH]c3ccc(-c4ccc5c(ccn5C)c4)cc23)cc(OC)c1OC
InChIInChI=1S/C25H23N3O3/c1-28-10-9-17-11-15(6-8-21(17)28)16-5-7-20-19(12-16)24(27-26-20)18-13-22(29-2)25(31-4)23(14-18)30-3/h5-14H,1-4H3,(H,26,27)
InChIKeyMVLGWEKHJLMIQX-UHFFFAOYSA-N
MW413.48 g/mol
LogP5.41
Rot. Bonds5

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

5-(1-methylindol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole (PubChem CID 164623102) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 5-(1-methylindol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole.

Molecular Properties

Compound Name5-(1-methylindol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole
PubChem CID164623102
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name5-(1-methylindol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole
SMILESCOc1cc(-c2n[nH]c3ccc(-c4ccc5c(ccn5C)c4)cc23)cc(OC)c1OC
InChIInChI=1S/C25H23N3O3/c1-28-10-9-17-11-15(6-8-21(17)28)16-5-7-20-19(12-16)24(27-26-20)18-13-22(29-2)25(31-4)23(14-18)30-3/h5-14H,1-4H3,(H,26,27)
InChIKeyMVLGWEKHJLMIQX-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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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylindol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole?
The IUPAC name of 5-(1-methylindol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole (CID 164623102) is 5-(1-methylindol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole.
What is the SMILES notation for 5-(1-methylindol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole?
The canonical SMILES for 5-(1-methylindol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole is COc1cc(-c2n[nH]c3ccc(-c4ccc5c(ccn5C)c4)cc23)cc(OC)c1OC.
What is the InChIKey of 5-(1-methylindol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole?
The InChIKey is MVLGWEKHJLMIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-28-10-9-17-11-15(6-8-21(17)28)16-5-7-20-19(12-16)24(27-26-20)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 5-(1-methylindol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole?
5-(1-methylindol-5-yl)-3-(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 5-(1-methylindol-5-yl)-3-(3,4,5-trimethoxyphenyl)-1H-indazole is sourced from PubChem (CID 164623102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).