5-hydroxy-N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]pyridine-2-carboxamide

C27H25F3N6O3S — CID 67256784

IUPAC5-hydroxy-N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]pyridine-2-carboxamide
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3(O)CCC(NC(=O)c4ccc(O)cn4)CC3)s2)c1
InChIInChI=1S/C27H25F3N6O3S/c1-15-10-16(12-18(11-15)35-25-31-9-6-22(36-25)27(28,29)30)21-14-33-24(40-21)26(39)7-4-17(5-8-26)34-23(38)20-3-2-19(37)13-32-20/h2-3,6,9-14,17,37,39H,4-5,7-8H2,1H3,(H,34,38)(H,31,35,36)
InChIKeyQJJGGDYCHWVPJJ-UHFFFAOYSA-N
MW570.60 g/mol
LogP5.33
Rot. Bonds6

About 5-hydroxy-N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]pyridine-2-carboxamide

5-hydroxy-N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]pyridine-2-carboxamide (PubChem CID 67256784) has the molecular formula C27H25F3N6O3S and a molecular weight of 570.60 g/mol. Its IUPAC name is 5-hydroxy-N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]pyridine-2-carboxamide
PubChem CID67256784
Molecular FormulaC27H25F3N6O3S
Molecular Weight570.60 g/mol
Exact Mass570.17
IUPAC Name5-hydroxy-N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]pyridine-2-carboxamide
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3(O)CCC(NC(=O)c4ccc(O)cn4)CC3)s2)c1
InChIInChI=1S/C27H25F3N6O3S/c1-15-10-16(12-18(11-15)35-25-31-9-6-22(36-25)27(28,29)30)21-14-33-24(40-21)26(39)7-4-17(5-8-26)34-23(38)20-3-2-19(37)13-32-20/h2-3,6,9-14,17,37,39H,4-5,7-8H2,1H3,(H,34,38)(H,31,35,36)
InChIKeyQJJGGDYCHWVPJJ-UHFFFAOYSA-N
XLogP5.33
TPSA133.15 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.60
LogP ≤ 55.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-hydroxy-N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]pyridine-2-carboxamide?
The IUPAC name of 5-hydroxy-N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]pyridine-2-carboxamide (CID 67256784) is 5-hydroxy-N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for 5-hydroxy-N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]pyridine-2-carboxamide is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3(O)CCC(NC(=O)c4ccc(O)cn4)CC3)s2)c1.
What is the InChIKey of 5-hydroxy-N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]pyridine-2-carboxamide?
The InChIKey is QJJGGDYCHWVPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N6O3S/c1-15-10-16(12-18(11-15)35-25-31-9-6-22(36-25)27(28,29)30)21-14-33-24(40-21)26(39)7-4-17(5-8-26)34-23(38)20-3-2-19(37)13-32-20/h2-3,6,9-14,17,37,39H,4-5,7-8H2,1H3,(H,34,38)(H,31,35,36).
What are the key properties of 5-hydroxy-N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]pyridine-2-carboxamide?
5-hydroxy-N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]pyridine-2-carboxamide has a molecular weight of 570.60 g/mol, XLogP of 5.33, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[4-hydroxy-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 67256784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).