2-phenyl-6-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C20H16F3N3O2S — CID 53147437

IUPAC2-phenyl-6-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCc2nc(-c3ccccc3)ncc2C1
InChIInChI=1S/C20H16F3N3O2S/c21-20(22,23)16-7-4-8-17(11-16)29(27,28)26-10-9-18-15(13-26)12-24-19(25-18)14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2
InChIKeyBCJJBJWGNUJNFE-UHFFFAOYSA-N
MW419.43 g/mol
LogP3.91
Rot. Bonds3

About 2-phenyl-6-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-phenyl-6-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 53147437) has the molecular formula C20H16F3N3O2S and a molecular weight of 419.43 g/mol. Its IUPAC name is 2-phenyl-6-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-phenyl-6-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID53147437
Molecular FormulaC20H16F3N3O2S
Molecular Weight419.43 g/mol
Exact Mass419.09
IUPAC Name2-phenyl-6-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCc2nc(-c3ccccc3)ncc2C1
InChIInChI=1S/C20H16F3N3O2S/c21-20(22,23)16-7-4-8-17(11-16)29(27,28)26-10-9-18-15(13-26)12-24-19(25-18)14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2
InChIKeyBCJJBJWGNUJNFE-UHFFFAOYSA-N
XLogP3.91
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-6-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-methoxyphenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 53147416
2-phenyl-6-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913972
2-propan-2-yl-5-[3-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
CID 169414423
1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-one
CID 10709847
4-cyclopropylidene-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 121187233
2-pyridin-4-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910762
2-(4-fluorophenyl)-6-quinolin-8-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 53147366
12-[3-(trifluoromethyl)phenyl]sulfonyl-2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 53183848
4-[6-[[6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24913983
2-[3-(trifluoromethyl)phenyl]sulfonyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 24602975
6-methyl-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909217
1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 697906

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-phenyl-6-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 53147437) is 2-phenyl-6-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-phenyl-6-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-phenyl-6-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCc2nc(-c3ccccc3)ncc2C1.
What is the InChIKey of 2-phenyl-6-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is BCJJBJWGNUJNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2S/c21-20(22,23)16-7-4-8-17(11-16)29(27,28)26-10-9-18-15(13-26)12-24-19(25-18)14-5-2-1-3-6-14/h1-8,11-12H,9-10,13H2.
What are the key properties of 2-phenyl-6-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-phenyl-6-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 419.43 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[3-(trifluoromethyl)phenyl]sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 53147437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).