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

C19H15F4N3S — CID 24929614

IUPAC6-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1cccc(C(F)(F)F)c1CN1CCc2nc(-c3cccs3)ncc2C1
InChIInChI=1S/C19H15F4N3S/c20-15-4-1-3-14(19(21,22)23)13(15)11-26-7-6-16-12(10-26)9-24-18(25-16)17-5-2-8-27-17/h1-5,8-9H,6-7,10-11H2
InChIKeyIBVGCGYINFAOPC-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.92
Rot. Bonds3

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

6-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24929614) has the molecular formula C19H15F4N3S and a molecular weight of 393.41 g/mol. Its IUPAC name is 6-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24929614
Molecular FormulaC19H15F4N3S
Molecular Weight393.41 g/mol
Exact Mass393.09
IUPAC Name6-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1cccc(C(F)(F)F)c1CN1CCc2nc(-c3cccs3)ncc2C1
InChIInChI=1S/C19H15F4N3S/c20-15-4-1-3-14(19(21,22)23)13(15)11-26-7-6-16-12(10-26)9-24-18(25-16)17-5-2-8-27-17/h1-5,8-9H,6-7,10-11H2
InChIKeyIBVGCGYINFAOPC-UHFFFAOYSA-N
XLogP4.92
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929572
6-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917945
6-(quinoxalin-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910732
2-thiophen-2-yl-6-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917262
2-thiophen-2-yl-6-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915688
2-thiophen-2-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910774
6-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910942
6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911740
6-(1H-imidazol-2-ylmethyl)-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908677
6-[(5-methylthiophen-2-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908845
[5-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol
CID 24908656
6-[(1-benzylpyrazol-4-yl)methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912223

Frequently Asked Questions

What is the IUPAC name of 6-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24929614) is 6-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Fc1cccc(C(F)(F)F)c1CN1CCc2nc(-c3cccs3)ncc2C1.
What is the InChIKey of 6-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is IBVGCGYINFAOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3S/c20-15-4-1-3-14(19(21,22)23)13(15)11-26-7-6-16-12(10-26)9-24-18(25-16)17-5-2-8-27-17/h1-5,8-9H,6-7,10-11H2.
What are the key properties of 6-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 393.41 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24929614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).