N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

C34H37F3N8O4 — CID 67159075

About N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 67159075) has the molecular formula C34H37F3N8O4 and a molecular weight of 678.72 g/mol. Its IUPAC name is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 67159075
• Molecular Formula: C34H37F3N8O4
• Molecular Weight: 678.72 g/mol
• Exact Mass: 678.29
• IUPAC Name: N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: O=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1cccc(CN2CCN(CCN3CCOCC3)CC2)n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C32H36N8O2.C2HF3O2/c41-32(36-30-19-23(20-31-27(30)21-34-37-31)25-4-2-5-28-26(25)7-8-33-28)29-6-1-3-24(35-29)22-40-13-11-38(12-14-40)9-10-39-15-17-42-18-16-39;3-2(4,5)1(6)7/h1-8,19-21,33H,9-18,22H2,(H,34,37)(H,36,41);(H,6,7)
• InChIKey: UFUYHMKWSJUCHK-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 142.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	678.72
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 67159075) is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

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

The canonical SMILES for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is O=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1cccc(CN2CCN(CCN3CCOCC3)CC2)n1.O=C(O)C(F)(F)F.

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

The InChIKey is UFUYHMKWSJUCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N8O2.C2HF3O2/c41-32(36-30-19-23(20-31-27(30)21-34-37-31)25-4-2-5-28-26(25)7-8-33-28)29-6-1-3-24(35-29)22-40-13-11-38(12-14-40)9-10-39-15-17-42-18-16-39;3-2(4,5)1(6)7/h1-8,19-21,33H,9-18,22H2,(H,34,37)(H,36,41);(H,6,7).

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

N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-6-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 678.72 g/mol, XLogP of 4.44, 8 rotatable bonds, 4 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]-6-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67159075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).