6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

C24H20BrF3N6O2 — CID 171706332

About 6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide

6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 171706332) has the molecular formula C24H20BrF3N6O2 and a molecular weight of 561.36 g/mol. Its IUPAC name is 6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 171706332
• Molecular Formula: C24H20BrF3N6O2
• Molecular Weight: 561.36 g/mol
• Exact Mass: 560.08
• IUPAC Name: 6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: O=C(NCc1ccc(C(F)(F)F)nc1)c1n[nH]c2c1CCN(C(=O)Cc1c[nH]c3ccc(Br)cc13)C2
• InChI: InChI=1S/C24H20BrF3N6O2/c25-15-2-3-18-17(8-15)14(11-29-18)7-21(35)34-6-5-16-19(12-34)32-33-22(16)23(36)31-10-13-1-4-20(30-9-13)24(26,27)28/h1-4,8-9,11,29H,5-7,10,12H2,(H,31,36)(H,32,33)
• InChIKey: YRHUCROVLMZHRM-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 106.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.36
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?

The IUPAC name of 6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 171706332) is 6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide.

What is the SMILES notation for 6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?

The canonical SMILES for 6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is O=C(NCc1ccc(C(F)(F)F)nc1)c1n[nH]c2c1CCN(C(=O)Cc1c[nH]c3ccc(Br)cc13)C2.

What is the InChIKey of 6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?

The InChIKey is YRHUCROVLMZHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrF3N6O2/c25-15-2-3-18-17(8-15)14(11-29-18)7-21(35)34-6-5-16-19(12-34)32-33-22(16)23(36)31-10-13-1-4-20(30-9-13)24(26,27)28/h1-4,8-9,11,29H,5-7,10,12H2,(H,31,36)(H,32,33).

What are the key properties of 6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide?

6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 561.36 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(5-bromo-1H-indol-3-yl)acetyl]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 171706332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).