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

C26H18FN5 — CID 137117097

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

3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole (PubChem CID 137117097) has the molecular formula C26H18FN5 and a molecular weight of 419.46 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole.

Molecular Properties

• Compound Name: 3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole
• PubChem CID: 137117097
• Molecular Formula: C26H18FN5
• Molecular Weight: 419.46 g/mol
• Exact Mass: 419.15
• IUPAC Name: 3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole
• SMILES: Cc1ccncc1-c1ccc2[nH]nc(-c3cc4c(-c5cccc(F)c5)cncc4[nH]3)c2c1
• InChI: InChI=1S/C26H18FN5/c1-15-7-8-28-12-21(15)17-5-6-23-20(10-17)26(32-31-23)24-11-19-22(13-29-14-25(19)30-24)16-3-2-4-18(27)9-16/h2-14,30H,1H3,(H,31,32)
• InChIKey: MEAAUEJOXZMYQG-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-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole?

The IUPAC name of 3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole (CID 137117097) is 3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole.

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

The canonical SMILES for 3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole is Cc1ccncc1-c1ccc2[nH]nc(-c3cc4c(-c5cccc(F)c5)cncc4[nH]3)c2c1.

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

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

3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-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-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole is sourced from PubChem (CID 137117097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).