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

C26H20N6 — CID 145245039

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

3-[4-(3-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 145245039) has the molecular formula C26H20N6 and a molecular weight of 416.49 g/mol. Its IUPAC name is 3-[4-(3-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[4-(3-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 145245039
• Molecular Formula: C26H20N6
• Molecular Weight: 416.49 g/mol
• Exact Mass: 416.17
• IUPAC Name: 3-[4-(3-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
• SMILES: Cc1cccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cnccc6C)nc45)cc23)c1
• InChI: InChI=1S/C26H20N6/c1-15-4-3-5-17(12-15)24-18-13-23(29-21(18)9-11-28-24)26-25-22(31-32-26)7-6-20(30-25)19-14-27-10-8-16(19)2/h3-14,29H,1-2H3,(H,31,32)
• InChIKey: JWTRZRLPYAEJRK-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.49
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[4-(3-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine (CID 145245039) is 3-[4-(3-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 3-[4-(3-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine is Cc1cccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cnccc6C)nc45)cc23)c1.

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

The InChIKey is JWTRZRLPYAEJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6/c1-15-4-3-5-17(12-15)24-18-13-23(29-21(18)9-11-28-24)26-25-22(31-32-26)7-6-20(30-25)19-14-27-10-8-16(19)2/h3-14,29H,1-2H3,(H,31,32).

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

3-[4-(3-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 416.49 g/mol, XLogP of 5.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(3-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 145245039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).