6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C26H28F3N5O2 — CID 135946294

IUPAC6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC1CN(c2ccc(CN3CCc4nc(-c5ccc(C(F)(F)F)cc5)[nH]c(=O)c4C3)cn2)CC(C)O1
InChIInChI=1S/C26H28F3N5O2/c1-16-12-34(13-17(2)36-16)23-8-3-18(11-30-23)14-33-10-9-22-21(15-33)25(35)32-24(31-22)19-4-6-20(7-5-19)26(27,28)29/h3-8,11,16-17H,9-10,12-15H2,1-2H3,(H,31,32,35)
InChIKeyPDMJINUSOQUPPO-UHFFFAOYSA-N
MW499.54 g/mol
LogP4.02
Rot. Bonds4

About 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135946294) has the molecular formula C26H28F3N5O2 and a molecular weight of 499.54 g/mol. Its IUPAC name is 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135946294
Molecular FormulaC26H28F3N5O2
Molecular Weight499.54 g/mol
Exact Mass499.22
IUPAC Name6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC1CN(c2ccc(CN3CCc4nc(-c5ccc(C(F)(F)F)cc5)[nH]c(=O)c4C3)cn2)CC(C)O1
InChIInChI=1S/C26H28F3N5O2/c1-16-12-34(13-17(2)36-16)23-8-3-18(11-30-23)14-33-10-9-22-21(15-33)25(35)32-24(31-22)19-4-6-20(7-5-19)26(27,28)29/h3-8,11,16-17H,9-10,12-15H2,1-2H3,(H,31,32,35)
InChIKeyPDMJINUSOQUPPO-UHFFFAOYSA-N
XLogP4.02
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.54
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one 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-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946282
2-[4-(trifluoromethyl)phenyl]-6-[[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945434
6-[(4-fluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919816
2-(4-aminophenyl)-6-[[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945433
6-[[6-(4-ethylsulfanylphenyl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945714
6-[(4-butylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919397
6-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919298
6-(quinolin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861289
2-(4-aminophenyl)-6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946673
6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945754
6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945214
2-(4-aminophenyl)-6-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946073

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135946294) is 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC1CN(c2ccc(CN3CCc4nc(-c5ccc(C(F)(F)F)cc5)[nH]c(=O)c4C3)cn2)CC(C)O1.
What is the InChIKey of 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is PDMJINUSOQUPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O2/c1-16-12-34(13-17(2)36-16)23-8-3-18(11-30-23)14-33-10-9-22-21(15-33)25(35)32-24(31-22)19-4-6-20(7-5-19)26(27,28)29/h3-8,11,16-17H,9-10,12-15H2,1-2H3,(H,31,32,35).
What are the key properties of 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 499.54 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135946294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).