2-[[3-(cyclopropylmethyl)-1',2-dimethylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)

C24H31F6N5O4S — CID 155831487

About 2-[[3-(cyclopropylmethyl)-1',2-dimethylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)

2-[[3-(cyclopropylmethyl)-1',2-dimethylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155831487) has the molecular formula C24H31F6N5O4S and a molecular weight of 599.60 g/mol. Its IUPAC name is 2-[[3-(cyclopropylmethyl)-1',2-dimethylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 2-[[3-(cyclopropylmethyl)-1',2-dimethylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155831487
• Molecular Formula: C24H31F6N5O4S
• Molecular Weight: 599.60 g/mol
• Exact Mass: 599.20
• IUPAC Name: 2-[[3-(cyclopropylmethyl)-1',2-dimethylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cc1nc2c(n1CC1CC1)CN(Cc1nccs1)CC21CCN(C)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H29N5S.2C2HF3O2/c1-15-22-19-17(25(15)11-16-3-4-16)12-24(13-18-21-7-10-26-18)14-20(19)5-8-23(2)9-6-20;2*3-2(4,5)1(6)7/h7,10,16H,3-6,8-9,11-14H2,1-2H3;2*(H,6,7)
• InChIKey: KSHUSYKLBIVDHM-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 111.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.60
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclopropylmethyl)-1',2-dimethylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 2-[[3-(cyclopropylmethyl)-1',2-dimethylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) (CID 155831487) is 2-[[3-(cyclopropylmethyl)-1',2-dimethylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 2-[[3-(cyclopropylmethyl)-1',2-dimethylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 2-[[3-(cyclopropylmethyl)-1',2-dimethylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) is Cc1nc2c(n1CC1CC1)CN(Cc1nccs1)CC21CCN(C)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 2-[[3-(cyclopropylmethyl)-1',2-dimethylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is KSHUSYKLBIVDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5S.2C2HF3O2/c1-15-22-19-17(25(15)11-16-3-4-16)12-24(13-18-21-7-10-26-18)14-20(19)5-8-23(2)9-6-20;2*3-2(4,5)1(6)7/h7,10,16H,3-6,8-9,11-14H2,1-2H3;2*(H,6,7).

What are the key properties of 2-[[3-(cyclopropylmethyl)-1',2-dimethylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)?

2-[[3-(cyclopropylmethyl)-1',2-dimethylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 599.60 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-(cyclopropylmethyl)-1',2-dimethylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155831487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).