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

C40H36F2N16O3S2 — CID 159244119

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

4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine (PubChem CID 159244119) has the molecular formula C40H36F2N16O3S2 and a molecular weight of 890.97 g/mol. Its IUPAC name is 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine.

Molecular Properties

• Compound Name: 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine
• PubChem CID: 159244119
• Molecular Formula: C40H36F2N16O3S2
• Molecular Weight: 890.97 g/mol
• Exact Mass: 890.26
• IUPAC Name: 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine
• SMILES: Nc1csc(-c2nncn2C2CC2)n1.O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(F)cn1.O=C(O)c1cc(-n2cnc(C3CC3)c2)c(F)cn1
• InChI: InChI=1S/C20H17FN8OS.C12H10FN3O2.C8H9N5S/c21-13-6-22-14(5-16(13)28-7-15(23-9-28)11-1-2-11)19(30)25-17-8-31-20(26-17)18-27-24-10-29(18)12-3-4-12;13-8-4-14-9(12(17)18)3-11(8)16-5-10(15-6-16)7-1-2-7;9-6-3-14-8(11-6)7-12-10-4-13(7)5-1-2-5/h5-12H,1-4H2,(H,25,30);3-7H,1-2H2,(H,17,18);3-5H,1-2,9H2
• InChIKey: KULQAIBPARNPAG-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 241.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	890.97
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

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

The IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine (CID 159244119) is 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine.

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

The canonical SMILES for 4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine is Nc1csc(-c2nncn2C2CC2)n1.O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(F)cn1.O=C(O)c1cc(-n2cnc(C3CC3)c2)c(F)cn1.

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

The InChIKey is KULQAIBPARNPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN8OS.C12H10FN3O2.C8H9N5S/c21-13-6-22-14(5-16(13)28-7-15(23-9-28)11-1-2-11)19(30)25-17-8-31-20(26-17)18-27-24-10-29(18)12-3-4-12;13-8-4-14-9(12(17)18)3-11(8)16-5-10(15-6-16)7-1-2-7;9-6-3-14-8(11-6)7-12-10-4-13(7)5-1-2-5/h5-12H,1-4H2,(H,25,30);3-7H,1-2H2,(H,17,18);3-5H,1-2,9H2.

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

4-(4-cyclopropylimidazol-1-yl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine has a molecular weight of 890.97 g/mol, XLogP of 6.89, 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)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;2-(4-cyclopropyl-1,2,4-triazol-3-yl)-1,3-thiazol-4-amine is sourced from PubChem (CID 159244119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).