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

C22H23N7 — CID 71253830

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

3-methyl-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine (PubChem CID 71253830) has the molecular formula C22H23N7 and a molecular weight of 385.48 g/mol. Its IUPAC name is 3-methyl-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine.

Molecular Properties

• Compound Name: 3-methyl-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine
• PubChem CID: 71253830
• Molecular Formula: C22H23N7
• Molecular Weight: 385.48 g/mol
• Exact Mass: 385.20
• IUPAC Name: 3-methyl-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine
• SMILES: CC1(N)CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1
• InChI: InChI=1S/C22H23N7/c1-22(23)8-4-10-29(14-22)20-7-2-6-17(26-20)21-16-11-18(15-5-3-9-24-12-15)25-13-19(16)27-28-21/h2-3,5-7,9,11-13H,4,8,10,14,23H2,1H3,(H,27,28)
• InChIKey: STVHGQTYZJFQHJ-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 96.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.48
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-methyl-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine (CID 71253830) is 3-methyl-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine.

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

The canonical SMILES for 3-methyl-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine is CC1(N)CCCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)C1.

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

The InChIKey is STVHGQTYZJFQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7/c1-22(23)8-4-10-29(14-22)20-7-2-6-17(26-20)21-16-11-18(15-5-3-9-24-12-15)25-13-19(16)27-28-21/h2-3,5-7,9,11-13H,4,8,10,14,23H2,1H3,(H,27,28).

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

3-methyl-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine has a molecular weight of 385.48 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-1-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]piperidin-3-amine is sourced from PubChem (CID 71253830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).