4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide

C26H19F3N6O3S — CID 168984907

About 4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide

4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide (PubChem CID 168984907) has the molecular formula C26H19F3N6O3S and a molecular weight of 552.54 g/mol. Its IUPAC name is 4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide
• PubChem CID: 168984907
• Molecular Formula: C26H19F3N6O3S
• Molecular Weight: 552.54 g/mol
• Exact Mass: 552.12
• IUPAC Name: 4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide
• SMILES: COc1cnc(C)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(-c3ccc(OC(F)(F)F)cc3)nc2s1
• InChI: InChI=1S/C26H19F3N6O3S/c1-13-8-17(18-9-14(2)31-12-21(18)37-3)19(10-30-13)23(36)35-25-34-22-24(39-25)33-20(11-32-22)15-4-6-16(7-5-15)38-26(27,28)29/h4-12H,1-3H3,(H,32,34,35,36)
• InChIKey: KAPOTVDYMQNXJP-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 112.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.54
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide?

The IUPAC name of 4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide (CID 168984907) is 4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for 4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide?

The canonical SMILES for 4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide is COc1cnc(C)cc1-c1cc(C)ncc1C(=O)Nc1nc2ncc(-c3ccc(OC(F)(F)F)cc3)nc2s1.

What is the InChIKey of 4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide?

The InChIKey is KAPOTVDYMQNXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N6O3S/c1-13-8-17(18-9-14(2)31-12-21(18)37-3)19(10-30-13)23(36)35-25-34-22-24(39-25)33-20(11-32-22)15-4-6-16(7-5-15)38-26(27,28)29/h4-12H,1-3H3,(H,32,34,35,36).

What are the key properties of 4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide?

4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide has a molecular weight of 552.54 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-methoxy-2-methyl-4-pyridinyl)-6-methyl-N-[6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[4,5-b]pyrazin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 168984907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).