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

C24H33F6N5O4S — CID 155844732

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

5-[(1',2-dimethyl-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl)methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155844732) has the molecular formula C24H33F6N5O4S and a molecular weight of 601.61 g/mol. Its IUPAC name is 5-[(1',2-dimethyl-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl)methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 5-[(1',2-dimethyl-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl)methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155844732
• Molecular Formula: C24H33F6N5O4S
• Molecular Weight: 601.61 g/mol
• Exact Mass: 601.22
• IUPAC Name: 5-[(1',2-dimethyl-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl)methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cc1ncsc1CN1Cc2c(nc(C)n2C(C)C)C2(CCN(C)CC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H31N5S.2C2HF3O2/c1-14(2)25-16(4)22-19-17(25)10-24(11-18-15(3)21-13-26-18)12-20(19)6-8-23(5)9-7-20;2*3-2(4,5)1(6)7/h13-14H,6-12H2,1-5H3;2*(H,6,7)
• InChIKey: GYOMNCVDZWNLJN-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 111.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	601.61
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[(1',2-dimethyl-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl)methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) (CID 155844732) is 5-[(1',2-dimethyl-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl)methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid).

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

The canonical SMILES for 5-[(1',2-dimethyl-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl)methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) is Cc1ncsc1CN1Cc2c(nc(C)n2C(C)C)C2(CCN(C)CC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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

The InChIKey is GYOMNCVDZWNLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5S.2C2HF3O2/c1-14(2)25-16(4)22-19-17(25)10-24(11-18-15(3)21-13-26-18)12-20(19)6-8-23(5)9-7-20;2*3-2(4,5)1(6)7/h13-14H,6-12H2,1-5H3;2*(H,6,7).

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

5-[(1',2-dimethyl-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl)methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 601.61 g/mol, XLogP of 4.78, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1',2-dimethyl-3-propan-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine]-5-yl)methyl]-4-methyl-1,3-thiazole;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155844732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).