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

C23H16N6S — CID 145251780

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

5-(5-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 145251780) has the molecular formula C23H16N6S and a molecular weight of 408.49 g/mol. Its IUPAC name is 5-(5-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 5-(5-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 145251780
• Molecular Formula: C23H16N6S
• Molecular Weight: 408.49 g/mol
• Exact Mass: 408.12
• IUPAC Name: 5-(5-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
• SMILES: Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccsc6)ccnc5[nH]4)c3n2)c1
• InChI: InChI=1S/C23H16N6S/c1-13-8-15(11-24-10-13)18-2-3-19-21(26-18)22(29-28-19)20-9-17-16(14-5-7-30-12-14)4-6-25-23(17)27-20/h2-12H,1H3,(H,25,27)(H,28,29)
• InChIKey: OSIMONCVPHPHFU-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.49
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-(5-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine (CID 145251780) is 5-(5-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 5-(5-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine is Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccsc6)ccnc5[nH]4)c3n2)c1.

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

The InChIKey is OSIMONCVPHPHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6S/c1-13-8-15(11-24-10-13)18-2-3-19-21(26-18)22(29-28-19)20-9-17-16(14-5-7-30-12-14)4-6-25-23(17)27-20/h2-12H,1H3,(H,25,27)(H,28,29).

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

5-(5-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 408.49 g/mol, XLogP of 5.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(5-methyl-3-pyridinyl)-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 145251780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).