N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide

C30H34N8O2S — CID 58356325

About N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide

N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 58356325) has the molecular formula C30H34N8O2S and a molecular weight of 570.72 g/mol. Its IUPAC name is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 58356325
• Molecular Formula: C30H34N8O2S
• Molecular Weight: 570.72 g/mol
• Exact Mass: 570.25
• IUPAC Name: N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide
• SMILES: O=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1csc(CN2CCN(CCN3CCOCC3)CC2)n1
• InChI: InChI=1S/C30H34N8O2S/c39-30(28-20-41-29(33-28)19-38-10-8-36(9-11-38)6-7-37-12-14-40-15-13-37)34-26-16-21(17-27-24(26)18-32-35-27)22-2-1-3-25-23(22)4-5-31-25/h1-5,16-18,20,31H,6-15,19H2,(H,32,35)(H,34,39)
• InChIKey: JGXILIUHTFCMJC-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 105.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.72
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide (CID 58356325) is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide is O=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1csc(CN2CCN(CCN3CCOCC3)CC2)n1.

What is the InChIKey of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide?

The InChIKey is JGXILIUHTFCMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N8O2S/c39-30(28-20-41-29(33-28)19-38-10-8-36(9-11-38)6-7-37-12-14-40-15-13-37)34-26-16-21(17-27-24(26)18-32-35-27)22-2-1-3-25-23(22)4-5-31-25/h1-5,16-18,20,31H,6-15,19H2,(H,32,35)(H,34,39).

What are the key properties of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide?

N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 570.72 g/mol, XLogP of 3.87, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58356325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).