5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole

C24H19N5S — CID 137103043

IUPAC5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole
SMILESCc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)cccc5[nH]4)c3c2)n1C
InChIInChI=1S/C24H19N5S/c1-14-25-13-22(29(14)2)15-8-9-20-18(11-15)24(28-27-20)21-12-17-16(23-7-4-10-30-23)5-3-6-19(17)26-21/h3-13,26H,1-2H3,(H,27,28)
InChIKeyNVYMTGXNFUKSGO-UHFFFAOYSA-N
MW409.52 g/mol
LogP6.15
Rot. Bonds3

About 5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole

5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole (PubChem CID 137103043) has the molecular formula C24H19N5S and a molecular weight of 409.52 g/mol. Its IUPAC name is 5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole.

Molecular Properties

Compound Name5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole
PubChem CID137103043
Molecular FormulaC24H19N5S
Molecular Weight409.52 g/mol
Exact Mass409.14
IUPAC Name5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole
SMILESCc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)cccc5[nH]4)c3c2)n1C
InChIInChI=1S/C24H19N5S/c1-14-25-13-22(29(14)2)15-8-9-20-18(11-15)24(28-27-20)21-12-17-16(23-7-4-10-30-23)5-3-6-19(17)26-21/h3-13,26H,1-2H3,(H,27,28)
InChIKeyNVYMTGXNFUKSGO-UHFFFAOYSA-N
XLogP6.15
TPSA62.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.52
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole?
The IUPAC name of 5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole (CID 137103043) is 5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole.
What is the SMILES notation for 5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole?
The canonical SMILES for 5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole is Cc1ncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccs6)cccc5[nH]4)c3c2)n1C.
What is the InChIKey of 5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole?
The InChIKey is NVYMTGXNFUKSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5S/c1-14-25-13-22(29(14)2)15-8-9-20-18(11-15)24(28-27-20)21-12-17-16(23-7-4-10-30-23)5-3-6-19(17)26-21/h3-13,26H,1-2H3,(H,27,28).
What are the key properties of 5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole?
5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole has a molecular weight of 409.52 g/mol, XLogP of 6.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylimidazol-4-yl)-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-indazole is sourced from PubChem (CID 137103043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).