4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine

C40H34F8N16O3S2 — CID 161187909

About 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine

4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine (PubChem CID 161187909) has the molecular formula C40H34F8N16O3S2 and a molecular weight of 1002.94 g/mol. Its IUPAC name is 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine.

Molecular Properties

• Compound Name: 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine
• PubChem CID: 161187909
• Molecular Formula: C40H34F8N16O3S2
• Molecular Weight: 1002.94 g/mol
• Exact Mass: 1002.23
• IUPAC Name: 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine
• SMILES: CC(n1cnnc1-c1nc(N)cs1)C(F)(F)F.CC(n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(F)cn2)cs1)C(F)(F)F.O=C(O)c1cc(-n2cnc(C3CC3)c2)c(F)cn1
• InChI: InChI=1S/C20H16F4N8OS.C12H10FN3O2.C8H8F3N5S/c1-10(20(22,23)24)32-9-27-30-17(32)19-29-16(7-34-19)28-18(33)13-4-15(12(21)5-25-13)31-6-14(26-8-31)11-2-3-11;13-8-4-14-9(12(17)18)3-11(8)16-5-10(15-6-16)7-1-2-7;1-4(8(9,10)11)16-3-13-15-6(16)7-14-5(12)2-17-7/h4-11H,2-3H2,1H3,(H,28,33);3-7H,1-2H2,(H,17,18);2-4H,12H2,1H3
• InChIKey: UTIGLXZWIUHZDM-UHFFFAOYSA-N
• XLogP: 8.46
• TPSA: 241.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1002.94
LogP ≤ 5	8.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine?

The IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine (CID 161187909) is 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine.

What is the SMILES notation for 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine?

The canonical SMILES for 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine is CC(n1cnnc1-c1nc(N)cs1)C(F)(F)F.CC(n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(F)cn2)cs1)C(F)(F)F.O=C(O)c1cc(-n2cnc(C3CC3)c2)c(F)cn1.

What is the InChIKey of 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine?

The InChIKey is UTIGLXZWIUHZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N8OS.C12H10FN3O2.C8H8F3N5S/c1-10(20(22,23)24)32-9-27-30-17(32)19-29-16(7-34-19)28-18(33)13-4-15(12(21)5-25-13)31-6-14(26-8-31)11-2-3-11;13-8-4-14-9(12(17)18)3-11(8)16-5-10(15-6-16)7-1-2-7;1-4(8(9,10)11)16-3-13-15-6(16)7-14-5(12)2-17-7/h4-11H,2-3H2,1H3,(H,28,33);3-7H,1-2H2,(H,17,18);2-4H,12H2,1H3.

What are the key properties of 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine?

4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine has a molecular weight of 1002.94 g/mol, XLogP of 8.46, 11 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-yl]pyridine-2-carboxamide;2-[4-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazol-4-amine is sourced from PubChem (CID 161187909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).