[4-[2-methoxy-5-(trifluoromethyl)anilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone;hydrochloride

C22H24ClF3N4O2 — CID 68869763

About [4-[2-methoxy-5-(trifluoromethyl)anilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone;hydrochloride

[4-[2-methoxy-5-(trifluoromethyl)anilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone;hydrochloride (PubChem CID 68869763) has the molecular formula C22H24ClF3N4O2 and a molecular weight of 468.91 g/mol. Its IUPAC name is [4-[2-methoxy-5-(trifluoromethyl)anilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone;hydrochloride.

Molecular Properties

• Compound Name: [4-[2-methoxy-5-(trifluoromethyl)anilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone;hydrochloride
• PubChem CID: 68869763
• Molecular Formula: C22H24ClF3N4O2
• Molecular Weight: 468.91 g/mol
• Exact Mass: 468.15
• IUPAC Name: [4-[2-methoxy-5-(trifluoromethyl)anilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone;hydrochloride
• SMILES: COc1ccc(C(F)(F)F)cc1Nc1ncc(C(=O)N2CCCCC2)c2c1ccn2C.Cl
• InChI: InChI=1S/C22H23F3N4O2.ClH/c1-28-11-8-15-19(28)16(21(30)29-9-4-3-5-10-29)13-26-20(15)27-17-12-14(22(23,24)25)6-7-18(17)31-2;/h6-8,11-13H,3-5,9-10H2,1-2H3,(H,26,27);1H
• InChIKey: LULVGQDGXQDAND-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.91
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-[2-methoxy-5-(trifluoromethyl)anilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone;hydrochloride?

The IUPAC name of [4-[2-methoxy-5-(trifluoromethyl)anilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone;hydrochloride (CID 68869763) is [4-[2-methoxy-5-(trifluoromethyl)anilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone;hydrochloride.

What is the SMILES notation for [4-[2-methoxy-5-(trifluoromethyl)anilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone;hydrochloride?

The canonical SMILES for [4-[2-methoxy-5-(trifluoromethyl)anilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone;hydrochloride is COc1ccc(C(F)(F)F)cc1Nc1ncc(C(=O)N2CCCCC2)c2c1ccn2C.Cl.

What is the InChIKey of [4-[2-methoxy-5-(trifluoromethyl)anilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone;hydrochloride?

The InChIKey is LULVGQDGXQDAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2.ClH/c1-28-11-8-15-19(28)16(21(30)29-9-4-3-5-10-29)13-26-20(15)27-17-12-14(22(23,24)25)6-7-18(17)31-2;/h6-8,11-13H,3-5,9-10H2,1-2H3,(H,26,27);1H.

What are the key properties of [4-[2-methoxy-5-(trifluoromethyl)anilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone;hydrochloride?

[4-[2-methoxy-5-(trifluoromethyl)anilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone;hydrochloride has a molecular weight of 468.91 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-methoxy-5-(trifluoromethyl)anilino]-1-methylpyrrolo[3,2-c]pyridin-7-yl]-piperidin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 68869763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).