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

C24H17N7O — CID 137280315

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

5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137280315) has the molecular formula C24H17N7O and a molecular weight of 419.45 g/mol. Its IUPAC name is 5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137280315
• Molecular Formula: C24H17N7O
• Molecular Weight: 419.45 g/mol
• Exact Mass: 419.15
• IUPAC Name: 5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
• SMILES: COc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccn6)nccc5[nH]4)c3n2)c1
• InChI: InChI=1S/C24H17N7O/c1-32-15-10-14(12-25-13-15)17-5-6-20-23(29-17)24(31-30-20)21-11-16-18(28-21)7-9-27-22(16)19-4-2-3-8-26-19/h2-13,28H,1H3,(H,30,31)
• InChIKey: YGIGSOOUZLYRKS-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 105.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.45
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine (CID 137280315) is 5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine is COc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccn6)nccc5[nH]4)c3n2)c1.

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

The InChIKey is YGIGSOOUZLYRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N7O/c1-32-15-10-14(12-25-13-15)17-5-6-20-23(29-17)24(31-30-20)21-11-16-18(28-21)7-9-27-22(16)19-4-2-3-8-26-19/h2-13,28H,1H3,(H,30,31).

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

5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 419.45 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-methoxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137280315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).