5-methyl-2-thiophen-2-yl-4-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole

C23H19F3N4OS — CID 24917343

IUPAC5-methyl-2-thiophen-2-yl-4-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole
SMILESCc1oc(-c2cccs2)nc1CN1CCc2nc(-c3ccc(C(F)(F)F)cc3)ncc2C1
InChIInChI=1S/C23H19F3N4OS/c1-14-19(29-22(31-14)20-3-2-10-32-20)13-30-9-8-18-16(12-30)11-27-21(28-18)15-4-6-17(7-5-15)23(24,25)26/h2-7,10-11H,8-9,12-13H2,1H3
InChIKeyGYPORVCKAGUCOI-UHFFFAOYSA-N
MW456.49 g/mol
LogP5.75
Rot. Bonds4

About 5-methyl-2-thiophen-2-yl-4-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole

5-methyl-2-thiophen-2-yl-4-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole (PubChem CID 24917343) has the molecular formula C23H19F3N4OS and a molecular weight of 456.49 g/mol. Its IUPAC name is 5-methyl-2-thiophen-2-yl-4-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-thiophen-2-yl-4-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole
PubChem CID24917343
Molecular FormulaC23H19F3N4OS
Molecular Weight456.49 g/mol
Exact Mass456.12
IUPAC Name5-methyl-2-thiophen-2-yl-4-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole
SMILESCc1oc(-c2cccs2)nc1CN1CCc2nc(-c3ccc(C(F)(F)F)cc3)ncc2C1
InChIInChI=1S/C23H19F3N4OS/c1-14-19(29-22(31-14)20-3-2-10-32-20)13-30-9-8-18-16(12-30)11-27-21(28-18)15-4-6-17(7-5-15)23(24,25)26/h2-7,10-11H,8-9,12-13H2,1H3
InChIKeyGYPORVCKAGUCOI-UHFFFAOYSA-N
XLogP5.75
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.49
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methyl-2-thiophen-2-yl-4-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-thiophen-2-yl-4-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-thiophen-2-yl-4-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole (CID 24917343) is 5-methyl-2-thiophen-2-yl-4-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-thiophen-2-yl-4-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-thiophen-2-yl-4-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole is Cc1oc(-c2cccs2)nc1CN1CCc2nc(-c3ccc(C(F)(F)F)cc3)ncc2C1.
What is the InChIKey of 5-methyl-2-thiophen-2-yl-4-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole?
The InChIKey is GYPORVCKAGUCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4OS/c1-14-19(29-22(31-14)20-3-2-10-32-20)13-30-9-8-18-16(12-30)11-27-21(28-18)15-4-6-17(7-5-15)23(24,25)26/h2-7,10-11H,8-9,12-13H2,1H3.
What are the key properties of 5-methyl-2-thiophen-2-yl-4-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole?
5-methyl-2-thiophen-2-yl-4-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole has a molecular weight of 456.49 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-thiophen-2-yl-4-[[2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 24917343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).