3-(pyridin-2-ylmethyl)-8-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione

C21H15F3N4O2 — CID 56725503

IUPAC3-(pyridin-2-ylmethyl)-8-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1nc2n(Cc3cccc(C(F)(F)F)c3)cccc-2c(=O)n1Cc1ccccn1
InChIInChI=1S/C21H15F3N4O2/c22-21(23,24)15-6-3-5-14(11-15)12-27-10-4-8-17-18(27)26-20(30)28(19(17)29)13-16-7-1-2-9-25-16/h1-11H,12-13H2
InChIKeyMSHJBLSNYWJBQO-UHFFFAOYSA-N
MW412.37 g/mol
LogP3.02
Rot. Bonds4

About 3-(pyridin-2-ylmethyl)-8-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione

3-(pyridin-2-ylmethyl)-8-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 56725503) has the molecular formula C21H15F3N4O2 and a molecular weight of 412.37 g/mol. Its IUPAC name is 3-(pyridin-2-ylmethyl)-8-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(pyridin-2-ylmethyl)-8-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID56725503
Molecular FormulaC21H15F3N4O2
Molecular Weight412.37 g/mol
Exact Mass412.11
IUPAC Name3-(pyridin-2-ylmethyl)-8-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1nc2n(Cc3cccc(C(F)(F)F)c3)cccc-2c(=O)n1Cc1ccccn1
InChIInChI=1S/C21H15F3N4O2/c22-21(23,24)15-6-3-5-14(11-15)12-27-10-4-8-17-18(27)26-20(30)28(19(17)29)13-16-7-1-2-9-25-16/h1-11H,12-13H2
InChIKeyMSHJBLSNYWJBQO-UHFFFAOYSA-N
XLogP3.02
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(pyridin-2-ylmethyl)-8-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-(pyridin-2-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
CID 18581443
N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]acetamide
CID 66557448
2-[2,4-dioxo-3-(pyridin-2-ylmethyl)pyrido[2,3-d]pyrimidin-8-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 56725526
1,3-dimethyl-8-(pyridin-2-ylmethylamino)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione
CID 3710751
3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-one
CID 4809358
8-[(2-chloro-6-fluorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 56725529
1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 60861273
2-naphthalen-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53332186
8-[(2,5-dichlorophenyl)methyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 66557401
2-ethyl-5-methyl-4-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]-1H-imidazole
CID 56741267
1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 10452413
2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 63811781

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-2-ylmethyl)-8-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(pyridin-2-ylmethyl)-8-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 56725503) is 3-(pyridin-2-ylmethyl)-8-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(pyridin-2-ylmethyl)-8-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(pyridin-2-ylmethyl)-8-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione is O=c1nc2n(Cc3cccc(C(F)(F)F)c3)cccc-2c(=O)n1Cc1ccccn1.
What is the InChIKey of 3-(pyridin-2-ylmethyl)-8-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is MSHJBLSNYWJBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2/c22-21(23,24)15-6-3-5-14(11-15)12-27-10-4-8-17-18(27)26-20(30)28(19(17)29)13-16-7-1-2-9-25-16/h1-11H,12-13H2.
What are the key properties of 3-(pyridin-2-ylmethyl)-8-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
3-(pyridin-2-ylmethyl)-8-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 412.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-ylmethyl)-8-[[3-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 56725503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).