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

C25H28N6 — CID 92630754

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

6-[(3S)-1-benzylpiperidin-3-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine (PubChem CID 92630754) has the molecular formula C25H28N6 and a molecular weight of 412.54 g/mol. Its IUPAC name is 6-[(3S)-1-benzylpiperidin-3-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 6-[(3S)-1-benzylpiperidin-3-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine
• PubChem CID: 92630754
• Molecular Formula: C25H28N6
• Molecular Weight: 412.54 g/mol
• Exact Mass: 412.24
• IUPAC Name: 6-[(3S)-1-benzylpiperidin-3-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine
• SMILES: Cc1cccc(CNc2n[nH]c3nc([C@H]4CCCN(Cc5ccccc5)C4)ccc23)n1
• InChI: InChI=1S/C25H28N6/c1-18-7-5-11-21(27-18)15-26-24-22-12-13-23(28-25(22)30-29-24)20-10-6-14-31(17-20)16-19-8-3-2-4-9-19/h2-5,7-9,11-13,20H,6,10,14-17H2,1H3,(H2,26,28,29,30)/t20-/m0/s1
• InChIKey: WATCIACYONBFPE-FQEVSTJZSA-N
• XLogP: 4.65
• TPSA: 69.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.54
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[(3S)-1-benzylpiperidin-3-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine (CID 92630754) is 6-[(3S)-1-benzylpiperidin-3-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine.

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

The canonical SMILES for 6-[(3S)-1-benzylpiperidin-3-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine is Cc1cccc(CNc2n[nH]c3nc([C@H]4CCCN(Cc5ccccc5)C4)ccc23)n1.

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

The InChIKey is WATCIACYONBFPE-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H28N6/c1-18-7-5-11-21(27-18)15-26-24-22-12-13-23(28-25(22)30-29-24)20-10-6-14-31(17-20)16-19-8-3-2-4-9-19/h2-5,7-9,11-13,20H,6,10,14-17H2,1H3,(H2,26,28,29,30)/t20-/m0/s1.

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

6-[(3S)-1-benzylpiperidin-3-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine has a molecular weight of 412.54 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3S)-1-benzylpiperidin-3-yl]-N-[(6-methyl-2-pyridinyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 92630754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).