1-[2-methyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid

C22H30F3N5O3S — CID 155860297

About 1-[2-methyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid

1-[2-methyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid (PubChem CID 155860297) has the molecular formula C22H30F3N5O3S and a molecular weight of 501.58 g/mol. Its IUPAC name is 1-[2-methyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 1-[2-methyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155860297
• Molecular Formula: C22H30F3N5O3S
• Molecular Weight: 501.58 g/mol
• Exact Mass: 501.20
• IUPAC Name: 1-[2-methyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid
• SMILES: CC(=O)N1CCC2(CC1)CN(Cc1nccs1)Cc1c2nc(C)n1C(C)C.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H29N5OS.C2HF3O2/c1-14(2)25-15(3)22-19-17(25)11-23(12-18-21-7-10-27-18)13-20(19)5-8-24(9-6-20)16(4)26;3-2(4,5)1(6)7/h7,10,14H,5-6,8-9,11-13H2,1-4H3;(H,6,7)
• InChIKey: SUENGSRGIRFIEN-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 91.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.58
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid?

The IUPAC name of 1-[2-methyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid (CID 155860297) is 1-[2-methyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 1-[2-methyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for 1-[2-methyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid is CC(=O)N1CCC2(CC1)CN(Cc1nccs1)Cc1c2nc(C)n1C(C)C.O=C(O)C(F)(F)F.

What is the InChIKey of 1-[2-methyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid?

The InChIKey is SUENGSRGIRFIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5OS.C2HF3O2/c1-14(2)25-15(3)22-19-17(25)11-23(12-18-21-7-10-27-18)13-20(19)5-8-24(9-6-20)16(4)26;3-2(4,5)1(6)7/h7,10,14H,5-6,8-9,11-13H2,1-4H3;(H,6,7).

What are the key properties of 1-[2-methyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid?

1-[2-methyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 501.58 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-methyl-3-propan-2-yl-5-(1,3-thiazol-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155860297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).