2-[5-(5-ethyl-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine

C25H18FN5S — CID 145252470

About 2-[5-(5-ethyl-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine

2-[5-(5-ethyl-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine (PubChem CID 145252470) has the molecular formula C25H18FN5S and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-[5-(5-ethyl-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

• Compound Name: 2-[5-(5-ethyl-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine
• PubChem CID: 145252470
• Molecular Formula: C25H18FN5S
• Molecular Weight: 439.52 g/mol
• Exact Mass: 439.13
• IUPAC Name: 2-[5-(5-ethyl-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine
• SMILES: CCc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(F)s6)cncc5[nH]4)c3c2)c1
• InChI: InChI=1S/C25H18FN5S/c1-2-14-7-16(11-27-10-14)15-3-4-20-18(8-15)25(31-30-20)21-9-17-19(12-28-13-22(17)29-21)23-5-6-24(26)32-23/h3-13,29H,2H2,1H3,(H,30,31)
• InChIKey: JBKYOPXTHIULMK-UHFFFAOYSA-N
• XLogP: 6.60
• TPSA: 70.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.52
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-ethyl-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine?

The IUPAC name of 2-[5-(5-ethyl-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine (CID 145252470) is 2-[5-(5-ethyl-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine.

What is the SMILES notation for 2-[5-(5-ethyl-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine?

The canonical SMILES for 2-[5-(5-ethyl-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine is CCc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccc(F)s6)cncc5[nH]4)c3c2)c1.

What is the InChIKey of 2-[5-(5-ethyl-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine?

The InChIKey is JBKYOPXTHIULMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN5S/c1-2-14-7-16(11-27-10-14)15-3-4-20-18(8-15)25(31-30-20)21-9-17-19(12-28-13-22(17)29-21)23-5-6-24(26)32-23/h3-13,29H,2H2,1H3,(H,30,31).

What are the key properties of 2-[5-(5-ethyl-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine?

2-[5-(5-ethyl-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 439.52 g/mol, XLogP of 6.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(5-ethyl-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 145252470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).