3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole

C26H18FN5 — CID 145254195

About 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole

3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole (PubChem CID 145254195) has the molecular formula C26H18FN5 and a molecular weight of 419.46 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole.

Molecular Properties

• Compound Name: 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole
• PubChem CID: 145254195
• Molecular Formula: C26H18FN5
• Molecular Weight: 419.46 g/mol
• Exact Mass: 419.15
• IUPAC Name: 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole
• SMILES: Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)ccnc5[nH]4)c3c2)c1
• InChI: InChI=1S/C26H18FN5/c1-15-10-17(14-28-13-15)16-6-7-23-21(11-16)25(32-31-23)24-12-20-18(8-9-29-26(20)30-24)19-4-2-3-5-22(19)27/h2-14H,1H3,(H,29,30)(H,31,32)
• InChIKey: SJVALSMOMJEZNH-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 70.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.46
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole (CID 145254195) is 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole.

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

The canonical SMILES for 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole is Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)ccnc5[nH]4)c3c2)c1.

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

The InChIKey is SJVALSMOMJEZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN5/c1-15-10-17(14-28-13-15)16-6-7-23-21(11-16)25(32-31-23)24-12-20-18(8-9-29-26(20)30-24)19-4-2-3-5-22(19)27/h2-14H,1H3,(H,29,30)(H,31,32).

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

3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole has a molecular weight of 419.46 g/mol, XLogP of 6.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole is sourced from PubChem (CID 145254195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).