6-(4-hydroxypiperidin-4-yl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2-(trifluoromethyl)-2H-pyridine-1-carboxamide

C18H19F3N6O3S — CID 87614659

IUPAC6-(4-hydroxypiperidin-4-yl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2-(trifluoromethyl)-2H-pyridine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3C(C4(O)CCNCC4)=CC=CC3C(F)(F)F)nc12
InChIInChI=1S/C18H19F3N6O3S/c1-30-13-12-14(24-9-23-13)31-15(25-12)26-16(28)27-10(17(29)5-7-22-8-6-17)3-2-4-11(27)18(19,20)21/h2-4,9,11,22,29H,5-8H2,1H3,(H,25,26,28)
InChIKeyBQZKYFOSTMERSZ-UHFFFAOYSA-N
MW456.45 g/mol
LogP2.43
Rot. Bonds3

About 6-(4-hydroxypiperidin-4-yl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2-(trifluoromethyl)-2H-pyridine-1-carboxamide

6-(4-hydroxypiperidin-4-yl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2-(trifluoromethyl)-2H-pyridine-1-carboxamide (PubChem CID 87614659) has the molecular formula C18H19F3N6O3S and a molecular weight of 456.45 g/mol. Its IUPAC name is 6-(4-hydroxypiperidin-4-yl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2-(trifluoromethyl)-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name6-(4-hydroxypiperidin-4-yl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2-(trifluoromethyl)-2H-pyridine-1-carboxamide
PubChem CID87614659
Molecular FormulaC18H19F3N6O3S
Molecular Weight456.45 g/mol
Exact Mass456.12
IUPAC Name6-(4-hydroxypiperidin-4-yl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2-(trifluoromethyl)-2H-pyridine-1-carboxamide
SMILESCOc1ncnc2sc(NC(=O)N3C(C4(O)CCNCC4)=CC=CC3C(F)(F)F)nc12
InChIInChI=1S/C18H19F3N6O3S/c1-30-13-12-14(24-9-23-13)31-15(25-12)26-16(28)27-10(17(29)5-7-22-8-6-17)3-2-4-11(27)18(19,20)21/h2-4,9,11,22,29H,5-8H2,1H3,(H,25,26,28)
InChIKeyBQZKYFOSTMERSZ-UHFFFAOYSA-N
XLogP2.43
TPSA112.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxypiperidin-4-yl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2-(trifluoromethyl)-2H-pyridine-1-carboxamide?
The IUPAC name of 6-(4-hydroxypiperidin-4-yl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2-(trifluoromethyl)-2H-pyridine-1-carboxamide (CID 87614659) is 6-(4-hydroxypiperidin-4-yl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2-(trifluoromethyl)-2H-pyridine-1-carboxamide.
What is the SMILES notation for 6-(4-hydroxypiperidin-4-yl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2-(trifluoromethyl)-2H-pyridine-1-carboxamide?
The canonical SMILES for 6-(4-hydroxypiperidin-4-yl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2-(trifluoromethyl)-2H-pyridine-1-carboxamide is COc1ncnc2sc(NC(=O)N3C(C4(O)CCNCC4)=CC=CC3C(F)(F)F)nc12.
What is the InChIKey of 6-(4-hydroxypiperidin-4-yl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2-(trifluoromethyl)-2H-pyridine-1-carboxamide?
The InChIKey is BQZKYFOSTMERSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O3S/c1-30-13-12-14(24-9-23-13)31-15(25-12)26-16(28)27-10(17(29)5-7-22-8-6-17)3-2-4-11(27)18(19,20)21/h2-4,9,11,22,29H,5-8H2,1H3,(H,25,26,28).
What are the key properties of 6-(4-hydroxypiperidin-4-yl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2-(trifluoromethyl)-2H-pyridine-1-carboxamide?
6-(4-hydroxypiperidin-4-yl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2-(trifluoromethyl)-2H-pyridine-1-carboxamide has a molecular weight of 456.45 g/mol, XLogP of 2.43, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxypiperidin-4-yl)-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-2-(trifluoromethyl)-2H-pyridine-1-carboxamide is sourced from PubChem (CID 87614659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).