4-[(5-methylpyrazolo[5,4-b]pyridin-1-yl)methyl]-1-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazolo[3,4-c]pyridin-4-yl]pyrazolo[4,5-c]pyridine

C26H18N12 — CID 123472454

About 4-[(5-methylpyrazolo[5,4-b]pyridin-1-yl)methyl]-1-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazolo[3,4-c]pyridin-4-yl]pyrazolo[4,5-c]pyridine

4-[(5-methylpyrazolo[5,4-b]pyridin-1-yl)methyl]-1-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazolo[3,4-c]pyridin-4-yl]pyrazolo[4,5-c]pyridine (PubChem CID 123472454) has the molecular formula C26H18N12 and a molecular weight of 498.51 g/mol. Its IUPAC name is 4-[(5-methylpyrazolo[5,4-b]pyridin-1-yl)methyl]-1-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazolo[3,4-c]pyridin-4-yl]pyrazolo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 4-[(5-methylpyrazolo[5,4-b]pyridin-1-yl)methyl]-1-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazolo[3,4-c]pyridin-4-yl]pyrazolo[4,5-c]pyridine
• PubChem CID: 123472454
• Molecular Formula: C26H18N12
• Molecular Weight: 498.51 g/mol
• Exact Mass: 498.18
• IUPAC Name: 4-[(5-methylpyrazolo[5,4-b]pyridin-1-yl)methyl]-1-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazolo[3,4-c]pyridin-4-yl]pyrazolo[4,5-c]pyridine
• SMILES: Cc1cnc2c(cnn2Cc2nccc3c2cnn3-c2cncc3c2cnn3-c2ccnc3[nH]ncc23)c1
• InChI: InChI=1S/C26H18N12/c1-15-6-16-8-32-36(26(16)30-7-15)14-20-17-10-33-37(21(17)2-4-28-20)23-12-27-13-24-18(23)11-34-38(24)22-3-5-29-25-19(22)9-31-35-25/h2-13H,14H2,1H3,(H,29,31,35)
• InChIKey: HRQHTBJICKJXAG-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 133.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.51
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylpyrazolo[5,4-b]pyridin-1-yl)methyl]-1-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazolo[3,4-c]pyridin-4-yl]pyrazolo[4,5-c]pyridine?

The IUPAC name of 4-[(5-methylpyrazolo[5,4-b]pyridin-1-yl)methyl]-1-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazolo[3,4-c]pyridin-4-yl]pyrazolo[4,5-c]pyridine (CID 123472454) is 4-[(5-methylpyrazolo[5,4-b]pyridin-1-yl)methyl]-1-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazolo[3,4-c]pyridin-4-yl]pyrazolo[4,5-c]pyridine.

What is the SMILES notation for 4-[(5-methylpyrazolo[5,4-b]pyridin-1-yl)methyl]-1-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazolo[3,4-c]pyridin-4-yl]pyrazolo[4,5-c]pyridine?

The canonical SMILES for 4-[(5-methylpyrazolo[5,4-b]pyridin-1-yl)methyl]-1-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazolo[3,4-c]pyridin-4-yl]pyrazolo[4,5-c]pyridine is Cc1cnc2c(cnn2Cc2nccc3c2cnn3-c2cncc3c2cnn3-c2ccnc3[nH]ncc23)c1.

What is the InChIKey of 4-[(5-methylpyrazolo[5,4-b]pyridin-1-yl)methyl]-1-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazolo[3,4-c]pyridin-4-yl]pyrazolo[4,5-c]pyridine?

The InChIKey is HRQHTBJICKJXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N12/c1-15-6-16-8-32-36(26(16)30-7-15)14-20-17-10-33-37(21(17)2-4-28-20)23-12-27-13-24-18(23)11-34-38(24)22-3-5-29-25-19(22)9-31-35-25/h2-13H,14H2,1H3,(H,29,31,35).

What are the key properties of 4-[(5-methylpyrazolo[5,4-b]pyridin-1-yl)methyl]-1-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazolo[3,4-c]pyridin-4-yl]pyrazolo[4,5-c]pyridine?

4-[(5-methylpyrazolo[5,4-b]pyridin-1-yl)methyl]-1-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazolo[3,4-c]pyridin-4-yl]pyrazolo[4,5-c]pyridine has a molecular weight of 498.51 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-methylpyrazolo[5,4-b]pyridin-1-yl)methyl]-1-[1-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrazolo[3,4-c]pyridin-4-yl]pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 123472454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).