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

C23H31F6N5O4S — CID 155839932

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

2-[(1',2-dimethyl-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155839932) has the molecular formula C23H31F6N5O4S and a molecular weight of 587.59 g/mol. Its IUPAC name is 2-[(1',2-dimethyl-3-propan-2-ylspiro[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-[(1',2-dimethyl-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155839932
• Molecular Formula: C23H31F6N5O4S
• Molecular Weight: 587.59 g/mol
• Exact Mass: 587.20
• IUPAC Name: 2-[(1',2-dimethyl-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cc1nc2c(n1C(C)C)CN(Cc1nccs1)CC21CCN(C)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H29N5S.2C2HF3O2/c1-14(2)24-15(3)21-18-16(24)11-23(12-17-20-7-10-25-17)13-19(18)5-8-22(4)9-6-19;2*3-2(4,5)1(6)7/h7,10,14H,5-6,8-9,11-13H2,1-4H3;2*(H,6,7)
• InChIKey: UTNOWLRREWDFAV-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 111.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.59
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[(1',2-dimethyl-3-propan-2-ylspiro[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-[(1',2-dimethyl-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) (CID 155839932) is 2-[(1',2-dimethyl-3-propan-2-ylspiro[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-[(1',2-dimethyl-3-propan-2-ylspiro[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-[(1',2-dimethyl-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl)methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) is Cc1nc2c(n1C(C)C)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-[(1',2-dimethyl-3-propan-2-ylspiro[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 UTNOWLRREWDFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5S.2C2HF3O2/c1-14(2)24-15(3)21-18-16(24)11-23(12-17-20-7-10-25-17)13-19(18)5-8-22(4)9-6-19;2*3-2(4,5)1(6)7/h7,10,14H,5-6,8-9,11-13H2,1-4H3;2*(H,6,7).

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

2-[(1',2-dimethyl-3-propan-2-ylspiro[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 587.59 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1',2-dimethyl-3-propan-2-ylspiro[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 155839932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).