N-(cyclopropylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid

C21H27F3N6O3S — CID 155851097

About N-(cyclopropylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid

N-(cyclopropylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155851097) has the molecular formula C21H27F3N6O3S and a molecular weight of 500.55 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155851097
• Molecular Formula: C21H27F3N6O3S
• Molecular Weight: 500.55 g/mol
• Exact Mass: 500.18
• IUPAC Name: N-(cyclopropylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: O=C(NCC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2nccs2)CC1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H26N6OS.C2HF3O2/c26-18(21-11-14-1-2-14)17-23-22-15-3-4-19(13-25(15)17)5-8-24(9-6-19)12-16-20-7-10-27-16;3-2(4,5)1(6)7/h7,10,14H,1-6,8-9,11-13H2,(H,21,26);(H,6,7)
• InChIKey: NQJPNRRGEHFXQZ-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 113.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.55
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-(cyclopropylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid (CID 155851097) is N-(cyclopropylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-(cyclopropylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-(cyclopropylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid is O=C(NCC1CC1)c1nnc2n1CC1(CC2)CCN(Cc2nccs2)CC1.O=C(O)C(F)(F)F.

What is the InChIKey of N-(cyclopropylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is NQJPNRRGEHFXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6OS.C2HF3O2/c26-18(21-11-14-1-2-14)17-23-22-15-3-4-19(13-25(15)17)5-8-24(9-6-19)12-16-20-7-10-27-16;3-2(4,5)1(6)7/h7,10,14H,1-6,8-9,11-13H2,(H,21,26);(H,6,7).

What are the key properties of N-(cyclopropylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid?

N-(cyclopropylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 500.55 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-1'-(1,3-thiazol-2-ylmethyl)spiro[7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine-6,4'-piperidine]-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155851097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).