4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-1,3-thiazol-2-amine

C21H20F3N7OS — CID 118684956

About 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-1,3-thiazol-2-amine

4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 118684956) has the molecular formula C21H20F3N7OS and a molecular weight of 475.50 g/mol. Its IUPAC name is 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-1,3-thiazol-2-amine
• PubChem CID: 118684956
• Molecular Formula: C21H20F3N7OS
• Molecular Weight: 475.50 g/mol
• Exact Mass: 475.14
• IUPAC Name: 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-1,3-thiazol-2-amine
• SMILES: COc1nc(-c2csc(Nc3c4c(nn3CC(F)(F)F)CCC4)n2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C21H20F3N7OS/c1-12-8-30(11-25-12)17-7-6-15(26-19(17)32-2)16-9-33-20(27-16)28-18-13-4-3-5-14(13)29-31(18)10-21(22,23)24/h6-9,11H,3-5,10H2,1-2H3,(H,27,28)
• InChIKey: HJZVCQVBPMDUMS-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 82.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.50
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-1,3-thiazol-2-amine?

The IUPAC name of 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-1,3-thiazol-2-amine (CID 118684956) is 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-1,3-thiazol-2-amine.

What is the SMILES notation for 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-1,3-thiazol-2-amine?

The canonical SMILES for 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-1,3-thiazol-2-amine is COc1nc(-c2csc(Nc3c4c(nn3CC(F)(F)F)CCC4)n2)ccc1-n1cnc(C)c1.

What is the InChIKey of 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-1,3-thiazol-2-amine?

The InChIKey is HJZVCQVBPMDUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7OS/c1-12-8-30(11-25-12)17-7-6-15(26-19(17)32-2)16-9-33-20(27-16)28-18-13-4-3-5-14(13)29-31(18)10-21(22,23)24/h6-9,11H,3-5,10H2,1-2H3,(H,27,28).

What are the key properties of 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-1,3-thiazol-2-amine?

4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 475.50 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 118684956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).