5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole

C27H26FN7 — CID 86695577

About 5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole

5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole (PubChem CID 86695577) has the molecular formula C27H26FN7 and a molecular weight of 467.55 g/mol. Its IUPAC name is 5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole.

Molecular Properties

• Compound Name: 5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole
• PubChem CID: 86695577
• Molecular Formula: C27H26FN7
• Molecular Weight: 467.55 g/mol
• Exact Mass: 467.22
• IUPAC Name: 5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole
• SMILES: Cc1cccc(F)c1CN1CCC[C@@H](n2cc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)C1
• InChI: InChI=1S/C27H26FN7/c1-18-4-2-6-24(28)23(18)16-34-13-3-5-21(15-34)35-17-26(31-33-35)20-7-8-25-22(14-20)27(32-30-25)19-9-11-29-12-10-19/h2,4,6-12,14,17,21H,3,5,13,15-16H2,1H3,(H,30,32)/t21-/m1/s1
• InChIKey: MABYQYRDMAEOGX-OAQYLSRUSA-N
• XLogP: 5.17
• TPSA: 75.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.55
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole?

The IUPAC name of 5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole (CID 86695577) is 5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole.

What is the SMILES notation for 5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole?

The canonical SMILES for 5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole is Cc1cccc(F)c1CN1CCC[C@@H](n2cc(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)C1.

What is the InChIKey of 5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole?

The InChIKey is MABYQYRDMAEOGX-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H26FN7/c1-18-4-2-6-24(28)23(18)16-34-13-3-5-21(15-34)35-17-26(31-33-35)20-7-8-25-22(14-20)27(32-30-25)19-9-11-29-12-10-19/h2,4,6-12,14,17,21H,3,5,13,15-16H2,1H3,(H,30,32)/t21-/m1/s1.

What are the key properties of 5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole?

5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole has a molecular weight of 467.55 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole is sourced from PubChem (CID 86695577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).