6-(4-methoxyphenyl)-8-phenyl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one

C22H17F3N4O2 — CID 139551882

IUPAC6-(4-methoxyphenyl)-8-phenyl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one
SMILESCOc1ccc(-n2cc3cnc(NCC(F)(F)F)nc3c(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C22H17F3N4O2/c1-31-17-9-7-16(8-10-17)29-12-15-11-26-21(27-13-22(23,24)25)28-19(15)18(20(29)30)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,27,28)
InChIKeyAEQWZMWDVDNNNI-UHFFFAOYSA-N
MW426.40 g/mol
LogP4.43
Rot. Bonds5

About 6-(4-methoxyphenyl)-8-phenyl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one

6-(4-methoxyphenyl)-8-phenyl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one (PubChem CID 139551882) has the molecular formula C22H17F3N4O2 and a molecular weight of 426.40 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-8-phenyl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-8-phenyl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one
PubChem CID139551882
Molecular FormulaC22H17F3N4O2
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC Name6-(4-methoxyphenyl)-8-phenyl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one
SMILESCOc1ccc(-n2cc3cnc(NCC(F)(F)F)nc3c(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C22H17F3N4O2/c1-31-17-9-7-16(8-10-17)29-12-15-11-26-21(27-13-22(23,24)25)28-19(15)18(20(29)30)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,27,28)
InChIKeyAEQWZMWDVDNNNI-UHFFFAOYSA-N
XLogP4.43
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 139552098
CID 139552098
8-(4-Bromophenyl)-6-(4-methoxyphenyl)-2-(propylamino)pyrido[4,3-d]pyrimidin-7-one
CID 139536297
8-(4-Bromophenyl)-2-(ethylamino)-6-(4-methoxyphenyl)pyrido[4,3-d]pyrimidin-7-one
CID 139552085
8-(4-Bromophenyl)-2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)pyrido[4,3-d]pyrimidin-7-one
CID 139552544
8-(4-Chlorophenyl)-6-(4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one
CID 155674798
8-(4-Bromophenyl)-6-(4-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)pyrido[4,3-d]pyrimidin-7-one
CID 155674808
6,6-Difluoro-2-[4-(4-methoxyphenyl)piperazin-1-yl]-3,5,7,8-tetrahydroquinazolin-4-one
CID 155528458
1-(5-Benzyl-6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)-3-(4-methoxyphenyl)guanidine
CID 135516108
N-(4-methoxyphenyl)-4-(4-oxoquinazolin-3(4H)-yl)butanamide
CID 4903173
1-(4-Methoxyphenyl)-2,6-dimethyl-5-phenylpyrimidin-4-one
CID 779663
6-(4-Fluorophenyl)-2-(4-methoxyanilino)-3,8-dihydropyrido[2,3-d]pyrimidine-4,7-dione
CID 137010092
8-(4-Bromophenyl)-6-(4-methoxyphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]pyrido[4,3-d]pyrimidin-7-one
CID 139552519

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-8-phenyl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one?
The IUPAC name of 6-(4-methoxyphenyl)-8-phenyl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one (CID 139551882) is 6-(4-methoxyphenyl)-8-phenyl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-8-phenyl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(4-methoxyphenyl)-8-phenyl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one is COc1ccc(-n2cc3cnc(NCC(F)(F)F)nc3c(-c3ccccc3)c2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-8-phenyl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one?
The InChIKey is AEQWZMWDVDNNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c1-31-17-9-7-16(8-10-17)29-12-15-11-26-21(27-13-22(23,24)25)28-19(15)18(20(29)30)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,27,28).
What are the key properties of 6-(4-methoxyphenyl)-8-phenyl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one?
6-(4-methoxyphenyl)-8-phenyl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one has a molecular weight of 426.40 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-8-phenyl-2-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 139551882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).