7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2-(trifluoromethyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine

C20H13F3N6OS — CID 138546395

IUPAC7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2-(trifluoromethyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine
SMILESNC1=NC(c2cc(-c3cccc(-c4nnco4)c3)cs2)Cc2nc(C(F)(F)F)ncc21
InChIInChI=1S/C20H13F3N6OS/c21-20(22,23)19-25-7-13-14(28-19)6-15(27-17(13)24)16-5-12(8-31-16)10-2-1-3-11(4-10)18-29-26-9-30-18/h1-5,7-9,15H,6H2,(H2,24,27)
InChIKeySVPLLNLSQLYYCA-UHFFFAOYSA-N
MW442.43 g/mol
LogP4.28
Rot. Bonds3

About 7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2-(trifluoromethyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine

7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2-(trifluoromethyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine (PubChem CID 138546395) has the molecular formula C20H13F3N6OS and a molecular weight of 442.43 g/mol. Its IUPAC name is 7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2-(trifluoromethyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2-(trifluoromethyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine
PubChem CID138546395
Molecular FormulaC20H13F3N6OS
Molecular Weight442.43 g/mol
Exact Mass442.08
IUPAC Name7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2-(trifluoromethyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine
SMILESNC1=NC(c2cc(-c3cccc(-c4nnco4)c3)cs2)Cc2nc(C(F)(F)F)ncc21
InChIInChI=1S/C20H13F3N6OS/c21-20(22,23)19-25-7-13-14(28-19)6-15(27-17(13)24)16-5-12(8-31-16)10-2-1-3-11(4-10)18-29-26-9-30-18/h1-5,7-9,15H,6H2,(H2,24,27)
InChIKeySVPLLNLSQLYYCA-UHFFFAOYSA-N
XLogP4.28
TPSA103.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2-(trifluoromethyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine?
The IUPAC name of 7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2-(trifluoromethyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine (CID 138546395) is 7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2-(trifluoromethyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine.
What is the SMILES notation for 7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2-(trifluoromethyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine?
The canonical SMILES for 7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2-(trifluoromethyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine is NC1=NC(c2cc(-c3cccc(-c4nnco4)c3)cs2)Cc2nc(C(F)(F)F)ncc21.
What is the InChIKey of 7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2-(trifluoromethyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine?
The InChIKey is SVPLLNLSQLYYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N6OS/c21-20(22,23)19-25-7-13-14(28-19)6-15(27-17(13)24)16-5-12(8-31-16)10-2-1-3-11(4-10)18-29-26-9-30-18/h1-5,7-9,15H,6H2,(H2,24,27).
What are the key properties of 7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2-(trifluoromethyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine?
7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2-(trifluoromethyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine has a molecular weight of 442.43 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[3-(1,3,4-oxadiazol-2-yl)phenyl]thiophen-2-yl]-2-(trifluoromethyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-amine is sourced from PubChem (CID 138546395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).