2-N-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine

C₂₅H₂₆F₃N₉ — CID 155522165

About 2-N-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine

2-N-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine (PubChem CID 155522165) has the molecular formula C₂₅H₂₆F₃N₉ and a molecular weight of 509.54 g/mol. Its IUPAC name is 2-N-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine.

Molecular Properties

• Compound Name: 2-N-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine
• PubChem CID: 155522165
• Molecular Formula: C₂₅H₂₆F₃N₉
• Molecular Weight: 509.54 g/mol
• Exact Mass: 509.23
• IUPAC Name: 2-N-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine
• SMILES: FC(F)(F)c1ccc(Nc2cc3nc(Nc4ccc(N5CCN(CC6CC6)CC5)cn4)[nH]c3cn2)cn1
• InChI: InChI=1S/C25H26F3N9/c26-25(27,28)21-5-3-17(12-29-21)32-23-11-19-20(14-31-23)34-24(33-19)35-22-6-4-18(13-30-22)37-9-7-36(8-10-37)15-16-1-2-16/h3-6,11-14,16H,1-2,7-10,15H2,(H,31,32)(H2,30,33,34,35)
• InChIKey: AIKZDAIKXKBPJM-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 97.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.54
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-N-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine?

The IUPAC name of 2-N-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine (CID 155522165) is 2-N-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine.

What is the SMILES notation for 2-N-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine?

The canonical SMILES for 2-N-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine is FC(F)(F)c1ccc(Nc2cc3nc(Nc4ccc(N5CCN(CC6CC6)CC5)cn4)[nH]c3cn2)cn1.

What is the InChIKey of 2-N-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine?

The InChIKey is AIKZDAIKXKBPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N9/c26-25(27,28)21-5-3-17(12-29-21)32-23-11-19-20(14-31-23)34-24(33-19)35-22-6-4-18(13-30-22)37-9-7-36(8-10-37)15-16-1-2-16/h3-6,11-14,16H,1-2,7-10,15H2,(H,31,32)(H2,30,33,34,35).

What are the key properties of 2-N-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine?

2-N-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine has a molecular weight of 509.54 g/mol, XLogP of 4.79, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine is sourced from PubChem (CID 155522165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155522165 — identifiers, structure, computed properties (public domain)

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