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

C23H16N6S — CID 137088200

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

5-(4-methyl-3-pyridinyl)-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137088200) has the molecular formula C23H16N6S and a molecular weight of 408.49 g/mol. Its IUPAC name is 5-(4-methyl-3-pyridinyl)-3-(4-thiophen-2-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-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 137088200
• Molecular Formula: C23H16N6S
• Molecular Weight: 408.49 g/mol
• Exact Mass: 408.12
• IUPAC Name: 5-(4-methyl-3-pyridinyl)-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
• SMILES: Cc1ccncc1-c1cnc2n[nH]c(-c3cc4c(-c5cccs5)cncc4[nH]3)c2c1
• InChI: InChI=1S/C23H16N6S/c1-13-4-5-24-10-17(13)14-7-16-22(28-29-23(16)26-9-14)19-8-15-18(21-3-2-6-30-21)11-25-12-20(15)27-19/h2-12,27H,1H3,(H,26,28,29)
• InChIKey: RGANTEGASBZWPB-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-(4-methyl-3-pyridinyl)-3-(4-thiophen-2-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-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (CID 137088200) is 5-(4-methyl-3-pyridinyl)-3-(4-thiophen-2-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-thiophen-2-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-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is Cc1ccncc1-c1cnc2n[nH]c(-c3cc4c(-c5cccs5)cncc4[nH]3)c2c1.

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

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

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

5-(4-methyl-3-pyridinyl)-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-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-(4-methyl-3-pyridinyl)-3-(4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137088200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).