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

C22H22F3N7O4S — CID 139564787

IUPAC2-[1-[[6-(4-hydroxypiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1cc(N2CCC(O)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(O)cn2)s1
InChIInChI=1S/C22H22F3N7O4S/c1-11(30-19(35)14-7-18(29-10-28-14)32-4-2-12(33)3-5-32)21-27-9-16(37-21)20(36)31-17-6-13(22(23,24)25)15(34)8-26-17/h6-12,33-34H,2-5H2,1H3,(H,30,35)(H,26,31,36)
InChIKeyNQLQLFPHTLHVMM-UHFFFAOYSA-N
MW537.52 g/mol
LogP2.76
Rot. Bonds6

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

2-[1-[[6-(4-hydroxypiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide (PubChem CID 139564787) has the molecular formula C22H22F3N7O4S and a molecular weight of 537.52 g/mol. Its IUPAC name is 2-[1-[[6-(4-hydroxypiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-[[6-(4-hydroxypiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
PubChem CID139564787
Molecular FormulaC22H22F3N7O4S
Molecular Weight537.52 g/mol
Exact Mass537.14
IUPAC Name2-[1-[[6-(4-hydroxypiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1cc(N2CCC(O)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(O)cn2)s1
InChIInChI=1S/C22H22F3N7O4S/c1-11(30-19(35)14-7-18(29-10-28-14)32-4-2-12(33)3-5-32)21-27-9-16(37-21)20(36)31-17-6-13(22(23,24)25)15(34)8-26-17/h6-12,33-34H,2-5H2,1H3,(H,30,35)(H,26,31,36)
InChIKeyNQLQLFPHTLHVMM-UHFFFAOYSA-N
XLogP2.76
TPSA153.46 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.52
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[(1R)-1-[[6-(4-hydroxyiminopiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 139564831
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(1R)-1-[[6-(3-hydroxypyrrolidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 68952275
N-[5-chloro-4-(1,1-difluoroethyl)-2-pyridinyl]-2-[1-[[6-(3-hydroxypyrrolidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 139564813
2-[1-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyrimidine-4-carbonyl]amino]ethyl]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide
CID 89433978
N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-2-[1-(pyrimidine-4-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 139564794
N-[(1S)-1-chloro-1-(methylamino)propan-2-yl]-2-[(1R)-1-[[6-(4-hydroxypiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 129091255
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-(3-oxopiperazin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 25160792
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[(2S)-4-[6-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-4-oxobutan-2-yl]-1,3-thiazole-5-carboxamide
CID 149013158
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[[6-[7-(hydroxymethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]pyrimidine-4-carbonyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 25161040
4-N-[1-[5-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]carbamoyl]-1,3-thiazol-2-yl]ethyl]-6-N-ethylpyrimidine-4,6-dicarboxamide
CID 76568912
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-2-[1-[(6-formylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 129090581
N-[5-chloro-4-(1,1-difluoropropyl)-2-pyridinyl]-2-[1-[(6-pyrazol-1-ylpyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 139564966

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[6-(4-hydroxypiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[1-[[6-(4-hydroxypiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide (CID 139564787) is 2-[1-[[6-(4-hydroxypiperidin-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-[1-[[6-(4-hydroxypiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[1-[[6-(4-hydroxypiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide is CC(NC(=O)c1cc(N2CCC(O)CC2)ncn1)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(O)cn2)s1.
What is the InChIKey of 2-[1-[[6-(4-hydroxypiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
The InChIKey is NQLQLFPHTLHVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N7O4S/c1-11(30-19(35)14-7-18(29-10-28-14)32-4-2-12(33)3-5-32)21-27-9-16(37-21)20(36)31-17-6-13(22(23,24)25)15(34)8-26-17/h6-12,33-34H,2-5H2,1H3,(H,30,35)(H,26,31,36).
What are the key properties of 2-[1-[[6-(4-hydroxypiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide?
2-[1-[[6-(4-hydroxypiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide has a molecular weight of 537.52 g/mol, XLogP of 2.76, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[6-(4-hydroxypiperidin-1-yl)pyrimidine-4-carbonyl]amino]ethyl]-N-[5-hydroxy-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 139564787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).