1-[6-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine

C23H20N12 — CID 137102315

About 1-[6-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine

1-[6-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine (PubChem CID 137102315) has the molecular formula C23H20N12 and a molecular weight of 464.50 g/mol. Its IUPAC name is 1-[6-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine.

Molecular Properties

• Compound Name: 1-[6-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
• PubChem CID: 137102315
• Molecular Formula: C23H20N12
• Molecular Weight: 464.50 g/mol
• Exact Mass: 464.19
• IUPAC Name: 1-[6-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
• SMILES: Cc1cn(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(N7CC(N)C7)n6)cc45)[nH]c23)cn1
• InChI: InChI=1S/C23H20N12/c1-12-8-35(11-28-12)18-2-3-26-22-21(18)30-23(31-22)20-14-4-15(27-6-16(14)32-33-20)17-5-25-7-19(29-17)34-9-13(24)10-34/h2-8,11,13H,9-10,24H2,1H3,(H,32,33)(H,26,30,31)
• InChIKey: QWTJPTZOUONDEU-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 156.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.50
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine?

The IUPAC name of 1-[6-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine (CID 137102315) is 1-[6-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine.

What is the SMILES notation for 1-[6-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine?

The canonical SMILES for 1-[6-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine is Cc1cn(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(N7CC(N)C7)n6)cc45)[nH]c23)cn1.

What is the InChIKey of 1-[6-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine?

The InChIKey is QWTJPTZOUONDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N12/c1-12-8-35(11-28-12)18-2-3-26-22-21(18)30-23(31-22)20-14-4-15(27-6-16(14)32-33-20)17-5-25-7-19(29-17)34-9-13(24)10-34/h2-8,11,13H,9-10,24H2,1H3,(H,32,33)(H,26,30,31).

What are the key properties of 1-[6-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine?

1-[6-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine has a molecular weight of 464.50 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine is sourced from PubChem (CID 137102315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).