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

C27H20FN5 — CID 145252101

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

3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole (PubChem CID 145252101) has the molecular formula C27H20FN5 and a molecular weight of 433.49 g/mol. Its IUPAC name is 3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole.

Molecular Properties

• Compound Name: 3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole
• PubChem CID: 145252101
• Molecular Formula: C27H20FN5
• Molecular Weight: 433.49 g/mol
• Exact Mass: 433.17
• IUPAC Name: 3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole
• SMILES: Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(C)cc(F)c6)nccc5[nH]4)c3c2)c1
• InChI: InChI=1S/C27H20FN5/c1-15-7-18(10-20(28)9-15)26-22-12-25(31-23(22)5-6-30-26)27-21-11-17(3-4-24(21)32-33-27)19-8-16(2)13-29-14-19/h3-14,31H,1-2H3,(H,32,33)
• InChIKey: LOZYSUCZPNINEV-UHFFFAOYSA-N
• XLogP: 6.59
• TPSA: 70.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.49
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole (CID 145252101) is 3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole.

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

The canonical SMILES for 3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole is Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cc(C)cc(F)c6)nccc5[nH]4)c3c2)c1.

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

The InChIKey is LOZYSUCZPNINEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN5/c1-15-7-18(10-20(28)9-15)26-22-12-25(31-23(22)5-6-30-26)27-21-11-17(3-4-24(21)32-33-27)19-8-16(2)13-29-14-19/h3-14,31H,1-2H3,(H,32,33).

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

3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole has a molecular weight of 433.49 g/mol, XLogP of 6.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-(5-methyl-3-pyridinyl)-1H-indazole is sourced from PubChem (CID 145252101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).