4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide

C18H17F3N6O3S — CID 24829958

IUPAC4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCC(O)(c4cccc(C(F)(F)F)n4)CC3)nc12
InChIInChI=1S/C18H17F3N6O3S/c1-30-13-12-14(23-9-22-13)31-15(25-12)26-16(28)27-7-5-17(29,6-8-27)10-3-2-4-11(24-10)18(19,20)21/h2-4,9,29H,5-8H2,1H3,(H,25,26,28)
InChIKeyOXGFXMMBIXJQRH-UHFFFAOYSA-N
MW454.43 g/mol
LogP3.02
Rot. Bonds3

About 4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide

4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide (PubChem CID 24829958) has the molecular formula C18H17F3N6O3S and a molecular weight of 454.43 g/mol. Its IUPAC name is 4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide
PubChem CID24829958
Molecular FormulaC18H17F3N6O3S
Molecular Weight454.43 g/mol
Exact Mass454.10
IUPAC Name4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3CCC(O)(c4cccc(C(F)(F)F)n4)CC3)nc12
InChIInChI=1S/C18H17F3N6O3S/c1-30-13-12-14(23-9-22-13)31-15(25-12)26-16(28)27-7-5-17(29,6-8-27)10-3-2-4-11(24-10)18(19,20)21/h2-4,9,29H,5-8H2,1H3,(H,25,26,28)
InChIKeyOXGFXMMBIXJQRH-UHFFFAOYSA-N
XLogP3.02
TPSA113.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.43
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide
CID 146652574
3,4-dihydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 24829448
4-Hydroxy-4-(3-trifluoromethyl-phenyl)-piperidine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide
CID 24829619
N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 24829620
N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 24829621
N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 24829622
4-[(4-fluorophenyl)methyl]-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)piperidine-1-carboxamide
CID 24829792
N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 24829955
4-Acetylamino-4-(3-trifluoromethyl-phenyl)-piperidine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide
CID 24829959
4-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 24830126
N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[[6-(trifluoromethyl)pyridin-3-yl]methylamino]piperidine-1-carboxamide
CID 24830128
4-[2-Methoxy-1-(3-trifluoromethyl-phenyl)-ethyl]-piperazine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide
CID 24830611

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide (CID 24829958) is 4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide is COc1ncnc2sc(NC(=O)N3CCC(O)(c4cccc(C(F)(F)F)n4)CC3)nc12.
What is the InChIKey of 4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide?
The InChIKey is OXGFXMMBIXJQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O3S/c1-30-13-12-14(23-9-22-13)31-15(25-12)26-16(28)27-7-5-17(29,6-8-27)10-3-2-4-11(24-10)18(19,20)21/h2-4,9,29H,5-8H2,1H3,(H,25,26,28).
What are the key properties of 4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide?
4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide has a molecular weight of 454.43 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide is sourced from PubChem (CID 24829958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).