3-(cyclopropylmethyl)-N,N,2-trimethyl-5-(thiophen-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid

C25H34F3N5O3S — CID 155825809

About 3-(cyclopropylmethyl)-N,N,2-trimethyl-5-(thiophen-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid

3-(cyclopropylmethyl)-N,N,2-trimethyl-5-(thiophen-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155825809) has the molecular formula C25H34F3N5O3S and a molecular weight of 541.64 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-N,N,2-trimethyl-5-(thiophen-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 3-(cyclopropylmethyl)-N,N,2-trimethyl-5-(thiophen-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155825809
• Molecular Formula: C25H34F3N5O3S
• Molecular Weight: 541.64 g/mol
• Exact Mass: 541.23
• IUPAC Name: 3-(cyclopropylmethyl)-N,N,2-trimethyl-5-(thiophen-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1nc2c(n1CC1CC1)CN(Cc1cccs1)CC21CCN(C(=O)N(C)C)CC1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C23H33N5OS.C2HF3O2/c1-17-24-21-20(28(17)13-18-6-7-18)15-26(14-19-5-4-12-30-19)16-23(21)8-10-27(11-9-23)22(29)25(2)3;3-2(4,5)1(6)7/h4-5,12,18H,6-11,13-16H2,1-3H3;(H,6,7)
• InChIKey: NNGDUAYQLQMCHU-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 81.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.64
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-N,N,2-trimethyl-5-(thiophen-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 3-(cyclopropylmethyl)-N,N,2-trimethyl-5-(thiophen-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid (CID 155825809) is 3-(cyclopropylmethyl)-N,N,2-trimethyl-5-(thiophen-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 3-(cyclopropylmethyl)-N,N,2-trimethyl-5-(thiophen-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 3-(cyclopropylmethyl)-N,N,2-trimethyl-5-(thiophen-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid is Cc1nc2c(n1CC1CC1)CN(Cc1cccs1)CC21CCN(C(=O)N(C)C)CC1.O=C(O)C(F)(F)F.

What is the InChIKey of 3-(cyclopropylmethyl)-N,N,2-trimethyl-5-(thiophen-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is NNGDUAYQLQMCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5OS.C2HF3O2/c1-17-24-21-20(28(17)13-18-6-7-18)15-26(14-19-5-4-12-30-19)16-23(21)8-10-27(11-9-23)22(29)25(2)3;3-2(4,5)1(6)7/h4-5,12,18H,6-11,13-16H2,1-3H3;(H,6,7).

What are the key properties of 3-(cyclopropylmethyl)-N,N,2-trimethyl-5-(thiophen-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid?

3-(cyclopropylmethyl)-N,N,2-trimethyl-5-(thiophen-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 541.64 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclopropylmethyl)-N,N,2-trimethyl-5-(thiophen-2-ylmethyl)spiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-1'-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155825809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).