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

C25H17FN6 — CID 137116132

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

3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137116132) has the molecular formula C25H17FN6 and a molecular weight of 420.45 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 137116132
• Molecular Formula: C25H17FN6
• Molecular Weight: 420.45 g/mol
• Exact Mass: 420.15
• IUPAC Name: 3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
• SMILES: Cc1ccncc1-c1cc2c(-c3cc4c(-c5cccc(F)c5)cncc4[nH]3)n[nH]c2cn1
• InChI: InChI=1S/C25H17FN6/c1-14-5-6-27-10-19(14)21-9-18-24(13-29-21)31-32-25(18)22-8-17-20(11-28-12-23(17)30-22)15-3-2-4-16(26)7-15/h2-13,30H,1H3,(H,31,32)
• InChIKey: DTNGOCDUSPLTKA-UHFFFAOYSA-N
• XLogP: 5.68
• 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	420.45
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (CID 137116132) is 3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

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

The canonical SMILES for 3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is Cc1ccncc1-c1cc2c(-c3cc4c(-c5cccc(F)c5)cncc4[nH]3)n[nH]c2cn1.

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

The InChIKey is DTNGOCDUSPLTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN6/c1-14-5-6-27-10-19(14)21-9-18-24(13-29-21)31-32-25(18)22-8-17-20(11-28-12-23(17)30-22)15-3-2-4-16(26)7-15/h2-13,30H,1H3,(H,31,32).

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

3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 420.45 g/mol, XLogP of 5.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137116132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).