7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one

C16H13F3N4O2S — CID 71731151

IUPAC7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one
SMILESO=c1oc2nc(N3CCNCC3)ccc2cc1-c1nc(C(F)(F)F)cs1
InChIInChI=1S/C16H13F3N4O2S/c17-16(18,19)11-8-26-14(21-11)10-7-9-1-2-12(22-13(9)25-15(10)24)23-5-3-20-4-6-23/h1-2,7-8,20H,3-6H2
InChIKeyXLQLOZNCPWTRNL-UHFFFAOYSA-N
MW382.37 g/mol
LogP2.74
Rot. Bonds2

About 7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one

7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one (PubChem CID 71731151) has the molecular formula C16H13F3N4O2S and a molecular weight of 382.37 g/mol. Its IUPAC name is 7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one
PubChem CID71731151
Molecular FormulaC16H13F3N4O2S
Molecular Weight382.37 g/mol
Exact Mass382.07
IUPAC Name7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one
SMILESO=c1oc2nc(N3CCNCC3)ccc2cc1-c1nc(C(F)(F)F)cs1
InChIInChI=1S/C16H13F3N4O2S/c17-16(18,19)11-8-26-14(21-11)10-7-9-1-2-12(22-13(9)25-15(10)24)23-5-3-20-4-6-23/h1-2,7-8,20H,3-6H2
InChIKeyXLQLOZNCPWTRNL-UHFFFAOYSA-N
XLogP2.74
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one?
The IUPAC name of 7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one (CID 71731151) is 7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one is O=c1oc2nc(N3CCNCC3)ccc2cc1-c1nc(C(F)(F)F)cs1.
What is the InChIKey of 7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one?
The InChIKey is XLQLOZNCPWTRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2S/c17-16(18,19)11-8-26-14(21-11)10-7-9-1-2-12(22-13(9)25-15(10)24)23-5-3-20-4-6-23/h1-2,7-8,20H,3-6H2.
What are the key properties of 7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one?
7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one has a molecular weight of 382.37 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperazin-1-yl-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 71731151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).