(6-methyl-1H-indol-2-yl)-[(3R)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone

C23H21F3N4O — CID 92560376

About (6-methyl-1H-indol-2-yl)-[(3R)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone

(6-methyl-1H-indol-2-yl)-[(3R)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone (PubChem CID 92560376) has the molecular formula C23H21F3N4O and a molecular weight of 426.44 g/mol. Its IUPAC name is (6-methyl-1H-indol-2-yl)-[(3R)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (6-methyl-1H-indol-2-yl)-[(3R)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone
• PubChem CID: 92560376
• Molecular Formula: C23H21F3N4O
• Molecular Weight: 426.44 g/mol
• Exact Mass: 426.17
• IUPAC Name: (6-methyl-1H-indol-2-yl)-[(3R)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone
• SMILES: Cc1ccc2cc(C(=O)N3CCC[C@@H](c4cc5nc(C(F)(F)F)ccc5[nH]4)C3)[nH]c2c1
• InChI: InChI=1S/C23H21F3N4O/c1-13-4-5-14-10-20(28-17(14)9-13)22(31)30-8-2-3-15(12-30)18-11-19-16(27-18)6-7-21(29-19)23(24,25)26/h4-7,9-11,15,27-28H,2-3,8,12H2,1H3/t15-/m1/s1
• InChIKey: BVVJUVDOTUCPSC-OAHLLOKOSA-N
• XLogP: 5.39
• TPSA: 64.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.44
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1H-indol-2-yl)-[(3R)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone?

The IUPAC name of (6-methyl-1H-indol-2-yl)-[(3R)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone (CID 92560376) is (6-methyl-1H-indol-2-yl)-[(3R)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (6-methyl-1H-indol-2-yl)-[(3R)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for (6-methyl-1H-indol-2-yl)-[(3R)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone is Cc1ccc2cc(C(=O)N3CCC[C@@H](c4cc5nc(C(F)(F)F)ccc5[nH]4)C3)[nH]c2c1.

What is the InChIKey of (6-methyl-1H-indol-2-yl)-[(3R)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone?

The InChIKey is BVVJUVDOTUCPSC-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H21F3N4O/c1-13-4-5-14-10-20(28-17(14)9-13)22(31)30-8-2-3-15(12-30)18-11-19-16(27-18)6-7-21(29-19)23(24,25)26/h4-7,9-11,15,27-28H,2-3,8,12H2,1H3/t15-/m1/s1.

What are the key properties of (6-methyl-1H-indol-2-yl)-[(3R)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone?

(6-methyl-1H-indol-2-yl)-[(3R)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone has a molecular weight of 426.44 g/mol, XLogP of 5.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (6-methyl-1H-indol-2-yl)-[(3R)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 92560376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).