2-[(1R)-1-[[6-(4-carbamoylpiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide

C23H23F3N8O4S — CID 129091445

About 2-[(1R)-1-[[6-(4-carbamoylpiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide

2-[(1R)-1-[[6-(4-carbamoylpiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 129091445) has the molecular formula C23H23F3N8O4S and a molecular weight of 564.55 g/mol. Its IUPAC name is 2-[(1R)-1-[[6-(4-carbamoylpiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[(1R)-1-[[6-(4-carbamoylpiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 129091445
• Molecular Formula: C23H23F3N8O4S
• Molecular Weight: 564.55 g/mol
• Exact Mass: 564.15
• IUPAC Name: 2-[(1R)-1-[[6-(4-carbamoylpiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
• SMILES: C[C@@H](NC(=O)c1cc(N2CCC(C(N)=O)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(O)cn2)s1
• InChI: InChI=1S/C23H23F3N8O4S/c1-11(32-20(37)14-7-18(31-10-30-14)34-4-2-12(3-5-34)19(27)36)22-29-9-16(39-22)21(38)33-17-6-13(23(24,25)26)15(35)8-28-17/h6-12,35H,2-5H2,1H3,(H2,27,36)(H,32,37)(H,28,33,38)/t11-/m1/s1
• InChIKey: KXNWSAKPKYFZNB-LLVKDONJSA-N
• XLogP: 2.50
• TPSA: 176.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.55
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-[(1R)-1-[[6-(4-carbamoylpiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide (CID 129091445) is 2-[(1R)-1-[[6-(4-carbamoylpiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for 2-[(1R)-1-[[6-(4-carbamoylpiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide is C[C@@H](NC(=O)c1cc(N2CCC(C(N)=O)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(O)cn2)s1.

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

The InChIKey is KXNWSAKPKYFZNB-LLVKDONJSA-N. The full InChI is InChI=1S/C23H23F3N8O4S/c1-11(32-20(37)14-7-18(31-10-30-14)34-4-2-12(3-5-34)19(27)36)22-29-9-16(39-22)21(38)33-17-6-13(23(24,25)26)15(35)8-28-17/h6-12,35H,2-5H2,1H3,(H2,27,36)(H,32,37)(H,28,33,38)/t11-/m1/s1.

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

2-[(1R)-1-[[6-(4-carbamoylpiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 564.55 g/mol, XLogP of 2.50, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R)-1-[[6-(4-carbamoylpiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 129091445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).