2-[4-[5-chloro-6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide

C24H18Cl2F3N7O3S — CID 157057253

About 2-[4-[5-chloro-6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide

2-[4-[5-chloro-6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 157057253) has the molecular formula C24H18Cl2F3N7O3S and a molecular weight of 612.42 g/mol. Its IUPAC name is 2-[4-[5-chloro-6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[4-[5-chloro-6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 157057253
• Molecular Formula: C24H18Cl2F3N7O3S
• Molecular Weight: 612.42 g/mol
• Exact Mass: 611.05
• IUPAC Name: 2-[4-[5-chloro-6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
• SMILES: COc1ncccc1Nc1ncnc(C(=O)CC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)c1Cl
• InChI: InChI=1S/C24H18Cl2F3N7O3S/c1-11(6-15(37)19-18(26)20(34-10-33-19)35-14-4-3-5-30-22(14)39-2)23-32-9-16(40-23)21(38)36-17-7-12(24(27,28)29)13(25)8-31-17/h3-5,7-11H,6H2,1-2H3,(H,31,36,38)(H,33,34,35)
• InChIKey: AAXCYWOJZCRWEW-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 131.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.42
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-chloro-6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-[4-[5-chloro-6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide (CID 157057253) is 2-[4-[5-chloro-6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-[4-[5-chloro-6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-[4-[5-chloro-6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide is COc1ncccc1Nc1ncnc(C(=O)CC(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)c(Cl)cn3)s2)c1Cl.

What is the InChIKey of 2-[4-[5-chloro-6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?

The InChIKey is AAXCYWOJZCRWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2F3N7O3S/c1-11(6-15(37)19-18(26)20(34-10-33-19)35-14-4-3-5-30-22(14)39-2)23-32-9-16(40-23)21(38)36-17-7-12(24(27,28)29)13(25)8-31-17/h3-5,7-11H,6H2,1-2H3,(H,31,36,38)(H,33,34,35).

What are the key properties of 2-[4-[5-chloro-6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?

2-[4-[5-chloro-6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 612.42 g/mol, XLogP of 6.43, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-chloro-6-[(2-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-4-oxobutan-2-yl]-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 157057253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).