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

C27H33F6N7O4S — CID 155844620

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

4-methyl-5-[(2-methyl-3-propan-2-yl-1'-pyrimidin-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 155844620) has the molecular formula C27H33F6N7O4S and a molecular weight of 665.66 g/mol. Its IUPAC name is 4-methyl-5-[(2-methyl-3-propan-2-yl-1'-pyrimidin-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: 4-methyl-5-[(2-methyl-3-propan-2-yl-1'-pyrimidin-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: 155844620
• Molecular Formula: C27H33F6N7O4S
• Molecular Weight: 665.66 g/mol
• Exact Mass: 665.22
• IUPAC Name: 4-methyl-5-[(2-methyl-3-propan-2-yl-1'-pyrimidin-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: Cc1ncsc1CN1Cc2c(nc(C)n2C(C)C)C2(CCN(c3ncccn3)CC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C23H31N7S.2C2HF3O2/c1-16(2)30-18(4)27-21-19(30)12-28(13-20-17(3)26-15-31-20)14-23(21)6-10-29(11-7-23)22-24-8-5-9-25-22;2*3-2(4,5)1(6)7/h5,8-9,15-16H,6-7,10-14H2,1-4H3;2*(H,6,7)
• InChIKey: AYVBXXKEZNCHCW-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 137.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.66
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(2-methyl-3-propan-2-yl-1'-pyrimidin-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 4-methyl-5-[(2-methyl-3-propan-2-yl-1'-pyrimidin-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 155844620) is 4-methyl-5-[(2-methyl-3-propan-2-yl-1'-pyrimidin-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 4-methyl-5-[(2-methyl-3-propan-2-yl-1'-pyrimidin-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 4-methyl-5-[(2-methyl-3-propan-2-yl-1'-pyrimidin-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 Cc1ncsc1CN1Cc2c(nc(C)n2C(C)C)C2(CCN(c3ncccn3)CC2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 4-methyl-5-[(2-methyl-3-propan-2-yl-1'-pyrimidin-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 AYVBXXKEZNCHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7S.2C2HF3O2/c1-16(2)30-18(4)27-21-19(30)12-28(13-20-17(3)26-15-31-20)14-23(21)6-10-29(11-7-23)22-24-8-5-9-25-22;2*3-2(4,5)1(6)7/h5,8-9,15-16H,6-7,10-14H2,1-4H3;2*(H,6,7).

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

4-methyl-5-[(2-methyl-3-propan-2-yl-1'-pyrimidin-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 665.66 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-5-[(2-methyl-3-propan-2-yl-1'-pyrimidin-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 155844620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).