1-[2-methoxy-6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-methyl-7-(1-methylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea

C21H19F3N8O2S — CID 134213526

About 1-[2-methoxy-6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-methyl-7-(1-methylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea

1-[2-methoxy-6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-methyl-7-(1-methylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea (PubChem CID 134213526) has the molecular formula C21H19F3N8O2S and a molecular weight of 504.50 g/mol. Its IUPAC name is 1-[2-methoxy-6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-methyl-7-(1-methylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea.

Molecular Properties

• Compound Name: 1-[2-methoxy-6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-methyl-7-(1-methylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
• PubChem CID: 134213526
• Molecular Formula: C21H19F3N8O2S
• Molecular Weight: 504.50 g/mol
• Exact Mass: 504.13
• IUPAC Name: 1-[2-methoxy-6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-methyl-7-(1-methylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea
• SMILES: COc1nc(-n2nccn2)c(C(F)(F)F)cc1NC(=O)Nc1cnc2sc(C)nc2c1C1(C)CC1
• InChI: InChI=1S/C21H19F3N8O2S/c1-10-28-15-14(20(2)4-5-20)13(9-25-18(15)35-10)30-19(33)29-12-8-11(21(22,23)24)16(31-17(12)34-3)32-26-6-7-27-32/h6-9H,4-5H2,1-3H3,(H2,29,30,33)
• InChIKey: YGVCYOFPUVKSLP-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 119.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.50
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-methyl-7-(1-methylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea?

The IUPAC name of 1-[2-methoxy-6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-methyl-7-(1-methylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea (CID 134213526) is 1-[2-methoxy-6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-methyl-7-(1-methylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea.

What is the SMILES notation for 1-[2-methoxy-6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-methyl-7-(1-methylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea?

The canonical SMILES for 1-[2-methoxy-6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-methyl-7-(1-methylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea is COc1nc(-n2nccn2)c(C(F)(F)F)cc1NC(=O)Nc1cnc2sc(C)nc2c1C1(C)CC1.

What is the InChIKey of 1-[2-methoxy-6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-methyl-7-(1-methylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea?

The InChIKey is YGVCYOFPUVKSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N8O2S/c1-10-28-15-14(20(2)4-5-20)13(9-25-18(15)35-10)30-19(33)29-12-8-11(21(22,23)24)16(31-17(12)34-3)32-26-6-7-27-32/h6-9H,4-5H2,1-3H3,(H2,29,30,33).

What are the key properties of 1-[2-methoxy-6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-methyl-7-(1-methylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea?

1-[2-methoxy-6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-methyl-7-(1-methylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea has a molecular weight of 504.50 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-methoxy-6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]-3-[2-methyl-7-(1-methylcyclopropyl)-[1,3]thiazolo[5,4-b]pyridin-6-yl]urea is sourced from PubChem (CID 134213526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).