N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[(6-cyano-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide

C23H15ClF3N9O2S — CID 25160918

About N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[(6-cyano-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide

N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[(6-cyano-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 25160918) has the molecular formula C23H15ClF3N9O2S and a molecular weight of 573.95 g/mol. Its IUPAC name is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[(6-cyano-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[(6-cyano-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 25160918
• Molecular Formula: C23H15ClF3N9O2S
• Molecular Weight: 573.95 g/mol
• Exact Mass: 573.07
• IUPAC Name: N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[(6-cyano-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
• SMILES: CC(NC(=O)c1cc(Nc2ccc(C#N)nc2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
• InChI: InChI=1S/C23H15ClF3N9O2S/c1-11(34-20(37)16-5-19(33-10-32-16)35-13-3-2-12(6-28)29-7-13)22-31-9-17(39-22)21(38)36-18-4-14(23(25,26)27)15(24)8-30-18/h2-5,7-11H,1H3,(H,34,37)(H,30,36,38)(H,32,33,35)
• InChIKey: WXGUOPWMCTXVGU-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 158.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.95
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[(6-cyano-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[(6-cyano-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide (CID 25160918) is N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[(6-cyano-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[(6-cyano-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[(6-cyano-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide is CC(NC(=O)c1cc(Nc2ccc(C#N)nc2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1.

What is the InChIKey of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[(6-cyano-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?

The InChIKey is WXGUOPWMCTXVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N9O2S/c1-11(34-20(37)16-5-19(33-10-32-16)35-13-3-2-12(6-28)29-7-13)22-31-9-17(39-22)21(38)36-18-4-14(23(25,26)27)15(24)8-30-18/h2-5,7-11H,1H3,(H,34,37)(H,30,36,38)(H,32,33,35).

What are the key properties of N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[(6-cyano-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide?

N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[(6-cyano-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 573.95 g/mol, XLogP of 4.75, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[(6-cyano-3-pyridinyl)amino]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25160918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).