6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine

C26H30N6 — CID 95834413

About 6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine

6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine (PubChem CID 95834413) has the molecular formula C26H30N6 and a molecular weight of 426.57 g/mol. Its IUPAC name is 6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine
• PubChem CID: 95834413
• Molecular Formula: C26H30N6
• Molecular Weight: 426.57 g/mol
• Exact Mass: 426.25
• IUPAC Name: 6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine
• SMILES: Cc1cccc(CN2CCC[C@@H](c3ccc4c(NCc5cccc(C)n5)n[nH]c4n3)C2)c1
• InChI: InChI=1S/C26H30N6/c1-18-6-3-8-20(14-18)16-32-13-5-9-21(17-32)24-12-11-23-25(30-31-26(23)29-24)27-15-22-10-4-7-19(2)28-22/h3-4,6-8,10-12,14,21H,5,9,13,15-17H2,1-2H3,(H2,27,29,30,31)/t21-/m1/s1
• InChIKey: RDVNDHTWTGNUGP-OAQYLSRUSA-N
• XLogP: 4.96
• TPSA: 69.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.57
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine?

The IUPAC name of 6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine (CID 95834413) is 6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine.

What is the SMILES notation for 6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine?

The canonical SMILES for 6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine is Cc1cccc(CN2CCC[C@@H](c3ccc4c(NCc5cccc(C)n5)n[nH]c4n3)C2)c1.

What is the InChIKey of 6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine?

The InChIKey is RDVNDHTWTGNUGP-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H30N6/c1-18-6-3-8-20(14-18)16-32-13-5-9-21(17-32)24-12-11-23-25(30-31-26(23)29-24)27-15-22-10-4-7-19(2)28-22/h3-4,6-8,10-12,14,21H,5,9,13,15-17H2,1-2H3,(H2,27,29,30,31)/t21-/m1/s1.

What are the key properties of 6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine?

6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine has a molecular weight of 426.57 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 95834413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).