1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid

C48H35ClF6N8O6S2 — CID 167672049

About 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid

1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 167672049) has the molecular formula C48H35ClF6N8O6S2 and a molecular weight of 1033.43 g/mol. Its IUPAC name is 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
• PubChem CID: 167672049
• Molecular Formula: C48H35ClF6N8O6S2
• Molecular Weight: 1033.43 g/mol
• Exact Mass: 1032.17
• IUPAC Name: 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid
• SMILES: Nc1nc(-c2ccc(-n3ccccc3=O)cc2)c(C2CC2)s1.O=C(O)c1cc(C(F)(F)F)cnc1Cl.O=C(O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(-n3ccccc3=O)cc2)c(C2CC2)s1
• InChI: InChI=1S/C24H17F3N4O3S.C17H15N3OS.C7H3ClF3NO2/c25-24(26,27)15-11-17(22(33)34)21(28-12-15)30-23-29-19(20(35-23)14-4-5-14)13-6-8-16(9-7-13)31-10-2-1-3-18(31)32;18-17-19-15(16(22-17)12-4-5-12)11-6-8-13(9-7-11)20-10-2-1-3-14(20)21;8-5-4(6(13)14)1-3(2-12-5)7(9,10)11/h1-3,6-12,14H,4-5H2,(H,33,34)(H,28,29,30);1-3,6-10,12H,4-5H2,(H2,18,19);1-2H,(H,13,14)
• InChIKey: UGJLHROMNWPSTL-UHFFFAOYSA-N
• XLogP: 11.57
• TPSA: 208.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1033.43
LogP ≤ 5	11.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?

The IUPAC name of 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid (CID 167672049) is 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid.

What is the SMILES notation for 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?

The canonical SMILES for 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid is Nc1nc(-c2ccc(-n3ccccc3=O)cc2)c(C2CC2)s1.O=C(O)c1cc(C(F)(F)F)cnc1Cl.O=C(O)c1cc(C(F)(F)F)cnc1Nc1nc(-c2ccc(-n3ccccc3=O)cc2)c(C2CC2)s1.

What is the InChIKey of 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?

The InChIKey is UGJLHROMNWPSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N4O3S.C17H15N3OS.C7H3ClF3NO2/c25-24(26,27)15-11-17(22(33)34)21(28-12-15)30-23-29-19(20(35-23)14-4-5-14)13-6-8-16(9-7-13)31-10-2-1-3-18(31)32;18-17-19-15(16(22-17)12-4-5-12)11-6-8-13(9-7-11)20-10-2-1-3-14(20)21;8-5-4(6(13)14)1-3(2-12-5)7(9,10)11/h1-3,6-12,14H,4-5H2,(H,33,34)(H,28,29,30);1-3,6-10,12H,4-5H2,(H2,18,19);1-2H,(H,13,14).

What are the key properties of 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid?

1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 1033.43 g/mol, XLogP of 11.57, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one;2-chloro-5-(trifluoromethyl)pyridine-3-carboxylic acid;2-[[5-cyclopropyl-4-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-5-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 167672049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).