2-(furan-2-yl)-5-[(3R)-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

C24H29N9O — CID 169210655

About 2-(furan-2-yl)-5-[(3R)-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

2-(furan-2-yl)-5-[(3R)-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 169210655) has the molecular formula C24H29N9O and a molecular weight of 459.56 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[(3R)-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

• Compound Name: 2-(furan-2-yl)-5-[(3R)-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
• PubChem CID: 169210655
• Molecular Formula: C24H29N9O
• Molecular Weight: 459.56 g/mol
• Exact Mass: 459.25
• IUPAC Name: 2-(furan-2-yl)-5-[(3R)-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
• SMILES: Nc1nc(N2CCC[C@H](CN3CCC(c4ccncc4)CC3)C2)nc2nc(-c3ccco3)nn12
• InChI: InChI=1S/C24H29N9O/c25-22-28-23(29-24-27-21(30-33(22)24)20-4-2-14-34-20)32-11-1-3-17(16-32)15-31-12-7-19(8-13-31)18-5-9-26-10-6-18/h2,4-6,9-10,14,17,19H,1,3,7-8,11-13,15-16H2,(H2,25,27,28,29,30)/t17-/m1/s1
• InChIKey: VCZILGJNNUJDHE-QGZVFWFLSA-N
• XLogP: 2.85
• TPSA: 114.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.56
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[(3R)-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?

The IUPAC name of 2-(furan-2-yl)-5-[(3R)-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 169210655) is 2-(furan-2-yl)-5-[(3R)-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

What is the SMILES notation for 2-(furan-2-yl)-5-[(3R)-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?

The canonical SMILES for 2-(furan-2-yl)-5-[(3R)-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is Nc1nc(N2CCC[C@H](CN3CCC(c4ccncc4)CC3)C2)nc2nc(-c3ccco3)nn12.

What is the InChIKey of 2-(furan-2-yl)-5-[(3R)-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?

The InChIKey is VCZILGJNNUJDHE-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H29N9O/c25-22-28-23(29-24-27-21(30-33(22)24)20-4-2-14-34-20)32-11-1-3-17(16-32)15-31-12-7-19(8-13-31)18-5-9-26-10-6-18/h2,4-6,9-10,14,17,19H,1,3,7-8,11-13,15-16H2,(H2,25,27,28,29,30)/t17-/m1/s1.

What are the key properties of 2-(furan-2-yl)-5-[(3R)-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?

2-(furan-2-yl)-5-[(3R)-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 459.56 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-yl)-5-[(3R)-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 169210655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).