N-[1-[4-[[7-(2,2-difluoro-1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide

C25H28F5N5O2S — CID 170164333

About N-[1-[4-[[7-(2,2-difluoro-1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide

N-[1-[4-[[7-(2,2-difluoro-1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide (PubChem CID 170164333) has the molecular formula C25H28F5N5O2S and a molecular weight of 557.59 g/mol. Its IUPAC name is N-[1-[4-[[7-(2,2-difluoro-1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-[4-[[7-(2,2-difluoro-1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide
• PubChem CID: 170164333
• Molecular Formula: C25H28F5N5O2S
• Molecular Weight: 557.59 g/mol
• Exact Mass: 557.19
• IUPAC Name: N-[1-[4-[[7-(2,2-difluoro-1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide
• SMILES: COC(c1c(Nc2ccc(C(N(C)C(=O)C3CCNCC3)C(F)(F)F)cc2)cnc2sc(C)nc12)C(F)F
• InChI: InChI=1S/C25H28F5N5O2S/c1-13-33-19-18(20(37-3)22(26)27)17(12-32-23(19)38-13)34-16-6-4-14(5-7-16)21(25(28,29)30)35(2)24(36)15-8-10-31-11-9-15/h4-7,12,15,20-22,31,34H,8-11H2,1-3H3
• InChIKey: LTPCTEAAHBOIQG-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 79.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.59
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[[7-(2,2-difluoro-1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide?

The IUPAC name of N-[1-[4-[[7-(2,2-difluoro-1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide (CID 170164333) is N-[1-[4-[[7-(2,2-difluoro-1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide.

What is the SMILES notation for N-[1-[4-[[7-(2,2-difluoro-1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide?

The canonical SMILES for N-[1-[4-[[7-(2,2-difluoro-1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide is COC(c1c(Nc2ccc(C(N(C)C(=O)C3CCNCC3)C(F)(F)F)cc2)cnc2sc(C)nc12)C(F)F.

What is the InChIKey of N-[1-[4-[[7-(2,2-difluoro-1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide?

The InChIKey is LTPCTEAAHBOIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F5N5O2S/c1-13-33-19-18(20(37-3)22(26)27)17(12-32-23(19)38-13)34-16-6-4-14(5-7-16)21(25(28,29)30)35(2)24(36)15-8-10-31-11-9-15/h4-7,12,15,20-22,31,34H,8-11H2,1-3H3.

What are the key properties of N-[1-[4-[[7-(2,2-difluoro-1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide?

N-[1-[4-[[7-(2,2-difluoro-1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 557.59 g/mol, XLogP of 5.76, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[[7-(2,2-difluoro-1-methoxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]amino]phenyl]-2,2,2-trifluoroethyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 170164333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).