5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine

C24H17N7 — CID 137039999

About 5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine

5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137039999) has the molecular formula C24H17N7 and a molecular weight of 403.45 g/mol. Its IUPAC name is 5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: 5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 137039999
• Molecular Formula: C24H17N7
• Molecular Weight: 403.45 g/mol
• Exact Mass: 403.15
• IUPAC Name: 5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
• SMILES: Cc1ccncc1-c1cnc2n[nH]c(-c3cc4c(-c5cccnc5)cncc4[nH]3)c2c1
• InChI: InChI=1S/C24H17N7/c1-14-4-6-26-11-19(14)16-7-18-23(30-31-24(18)28-10-16)21-8-17-20(12-27-13-22(17)29-21)15-3-2-5-25-9-15/h2-13,29H,1H3,(H,28,30,31)
• InChIKey: CRPPXEXCBQZNPL-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 96.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.45
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (CID 137039999) is 5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine.

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

The canonical SMILES for 5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is Cc1ccncc1-c1cnc2n[nH]c(-c3cc4c(-c5cccnc5)cncc4[nH]3)c2c1.

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

The InChIKey is CRPPXEXCBQZNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N7/c1-14-4-6-26-11-19(14)16-7-18-23(30-31-24(18)28-10-16)21-8-17-20(12-27-13-22(17)29-21)15-3-2-5-25-9-15/h2-13,29H,1H3,(H,28,30,31).

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

5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 403.45 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methyl-3-pyridinyl)-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137039999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).