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

C24H26N12 — CID 137042626

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

1-[6-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine (PubChem CID 137042626) has the molecular formula C24H26N12 and a molecular weight of 482.56 g/mol. Its IUPAC name is 1-[6-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine.

Molecular Properties

• Compound Name: 1-[6-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
• PubChem CID: 137042626
• Molecular Formula: C24H26N12
• Molecular Weight: 482.56 g/mol
• Exact Mass: 482.24
• IUPAC Name: 1-[6-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine
• SMILES: CN1CCN(c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(N7CC(N)C7)n6)nc45)[nH]c23)CC1
• InChI: InChI=1S/C24H26N12/c1-34-6-8-35(9-7-34)18-4-5-27-23-21(18)30-24(31-23)22-20-16(32-33-22)3-2-15(29-20)17-10-26-11-19(28-17)36-12-14(25)13-36/h2-5,10-11,14H,6-9,12-13,25H2,1H3,(H,32,33)(H,27,30,31)
• InChIKey: XVQDDPZDRJZYCD-UHFFFAOYSA-N
• XLogP: 1.25
• TPSA: 144.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.56
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 1-[6-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine (CID 137042626) is 1-[6-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine.

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

The canonical SMILES for 1-[6-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine is CN1CCN(c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(N7CC(N)C7)n6)nc45)[nH]c23)CC1.

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

The InChIKey is XVQDDPZDRJZYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N12/c1-34-6-8-35(9-7-34)18-4-5-27-23-21(18)30-24(31-23)22-20-16(32-33-22)3-2-15(29-20)17-10-26-11-19(28-17)36-12-14(25)13-36/h2-5,10-11,14H,6-9,12-13,25H2,1H3,(H,32,33)(H,27,30,31).

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

1-[6-[3-[7-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine has a molecular weight of 482.56 g/mol, XLogP of 1.25, 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-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine is sourced from PubChem (CID 137042626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).