6-propanoyl-2-[3-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C17H16F3N3O2 — CID 135449462

IUPAC6-propanoyl-2-[3-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCC(=O)N1CCc2nc(-c3cccc(C(F)(F)F)c3)[nH]c(=O)c2C1
InChIInChI=1S/C17H16F3N3O2/c1-2-14(24)23-7-6-13-12(9-23)16(25)22-15(21-13)10-4-3-5-11(8-10)17(18,19)20/h3-5,8H,2,6-7,9H2,1H3,(H,21,22,25)
InChIKeyUVINRIIETDCFFO-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.75
Rot. Bonds2

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

6-propanoyl-2-[3-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135449462) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 6-propanoyl-2-[3-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-propanoyl-2-[3-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135449462
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name6-propanoyl-2-[3-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCC(=O)N1CCc2nc(-c3cccc(C(F)(F)F)c3)[nH]c(=O)c2C1
InChIInChI=1S/C17H16F3N3O2/c1-2-14(24)23-7-6-13-12(9-23)16(25)22-15(21-13)10-4-3-5-11(8-10)17(18,19)20/h3-5,8H,2,6-7,9H2,1H3,(H,21,22,25)
InChIKeyUVINRIIETDCFFO-UHFFFAOYSA-N
XLogP2.75
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-propanoyl-2-[3-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

2-Phenyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 135578165
6-Benzyl-2-phenyl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 135466479
6-benzyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 135472211
2-[3-[4-(Trifluoromethyl)piperidine-1-carbonyl]phenyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137129896
US10829487, Example I-97
CID 138750561
US10829487, Example I-100
CID 138750567
US10829487, Example I-10
CID 138750568
US10829487, Example I-38
CID 138750572
US10829487, Example I-52
CID 138750573
US10829487, Example I-70
CID 138750577
US10829487, Example I-56
CID 138750583
US10829487, Example I-87
CID 138750586

Frequently Asked Questions

What is the IUPAC name of 6-propanoyl-2-[3-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-propanoyl-2-[3-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135449462) is 6-propanoyl-2-[3-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-propanoyl-2-[3-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-propanoyl-2-[3-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCC(=O)N1CCc2nc(-c3cccc(C(F)(F)F)c3)[nH]c(=O)c2C1.
What is the InChIKey of 6-propanoyl-2-[3-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is UVINRIIETDCFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-2-14(24)23-7-6-13-12(9-23)16(25)22-15(21-13)10-4-3-5-11(8-10)17(18,19)20/h3-5,8H,2,6-7,9H2,1H3,(H,21,22,25).
What are the key properties of 6-propanoyl-2-[3-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-propanoyl-2-[3-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 351.33 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propanoyl-2-[3-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135449462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).