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

C24H21FN6 — CID 137039627

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

3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137039627) has the molecular formula C24H21FN6 and a molecular weight of 412.47 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137039627
• Molecular Formula: C24H21FN6
• Molecular Weight: 412.47 g/mol
• Exact Mass: 412.18
• IUPAC Name: 3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine
• SMILES: Fc1ccccc1-c1nccc2[nH]c(-c3n[nH]c4ccc(C5CCNCC5)nc34)cc12
• InChI: InChI=1S/C24H21FN6/c25-17-4-2-1-3-15(17)22-16-13-21(28-19(16)9-12-27-22)24-23-20(30-31-24)6-5-18(29-23)14-7-10-26-11-8-14/h1-6,9,12-14,26,28H,7-8,10-11H2,(H,30,31)
• InChIKey: FIQVQYPACUIZLW-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 82.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.47
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine (CID 137039627) is 3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine is Fc1ccccc1-c1nccc2[nH]c(-c3n[nH]c4ccc(C5CCNCC5)nc34)cc12.

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

The InChIKey is FIQVQYPACUIZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6/c25-17-4-2-1-3-15(17)22-16-13-21(28-19(16)9-12-27-22)24-23-20(30-31-24)6-5-18(29-23)14-7-10-26-11-8-14/h1-6,9,12-14,26,28H,7-8,10-11H2,(H,30,31).

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

3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 412.47 g/mol, XLogP of 4.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137039627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).