3-cyclopropyl-5-fluoro-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one

C17H11F4N3O — CID 169259165

IUPAC3-cyclopropyl-5-fluoro-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2c(F)ncc(-c3ccc(C(F)(F)F)cc3)c2ncn1C1CC1
InChIInChI=1S/C17H11F4N3O/c18-15-13-14(23-8-24(16(13)25)11-5-6-11)12(7-22-15)9-1-3-10(4-2-9)17(19,20)21/h1-4,7-8,11H,5-6H2
InChIKeyIFVPHTANQJGPRW-UHFFFAOYSA-N
MW349.29 g/mol
LogP3.95
Rot. Bonds2

About 3-cyclopropyl-5-fluoro-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one

3-cyclopropyl-5-fluoro-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one (PubChem CID 169259165) has the molecular formula C17H11F4N3O and a molecular weight of 349.29 g/mol. Its IUPAC name is 3-cyclopropyl-5-fluoro-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-5-fluoro-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one
PubChem CID169259165
Molecular FormulaC17H11F4N3O
Molecular Weight349.29 g/mol
Exact Mass349.08
IUPAC Name3-cyclopropyl-5-fluoro-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2c(F)ncc(-c3ccc(C(F)(F)F)cc3)c2ncn1C1CC1
InChIInChI=1S/C17H11F4N3O/c18-15-13-14(23-8-24(16(13)25)11-5-6-11)12(7-22-15)9-1-3-10(4-2-9)17(19,20)21/h1-4,7-8,11H,5-6H2
InChIKeyIFVPHTANQJGPRW-UHFFFAOYSA-N
XLogP3.95
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropyl-8-[4-(1,1-difluoroethyl)phenyl]-5-fluoropyrido[4,3-d]pyrimidin-4-one
CID 169259170
3-methyl-5-[(3-methyl-2-oxopiperidin-4-yl)amino]-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 169259193
3-(3-hydroxycyclopentyl)-8-pyridin-3-yl-6-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-one
CID 166803697
3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 141326779
3-cyclopropyl-6-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
CID 134810797
2-fluoro-3-iodo-5-[4-(trifluoromethyl)phenyl]pyridine
CID 133089573
4-[5-(7-cyclopropylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzenesulfonamide
CID 91801272
2-fluoro-5-methoxy-3-[4-(trifluoromethyl)phenyl]pyridine
CID 133089527
1-(4-chlorophenyl)-9-cyclopropyl-2-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]sulfanylpurin-6-one
CID 69436921
3-[(1S,2R)-2-hydroxycyclohexyl]-8-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-one
CID 156891904
4-amino-2-methyl-5-[4-(trifluoromethyl)phenyl]pyridazin-3-one
CID 117127653
4-(1-benzylpiperidin-4-yl)-11-[4-(trifluoromethyl)benzoyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 42794414

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-fluoro-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-cyclopropyl-5-fluoro-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one (CID 169259165) is 3-cyclopropyl-5-fluoro-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-cyclopropyl-5-fluoro-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-cyclopropyl-5-fluoro-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one is O=c1c2c(F)ncc(-c3ccc(C(F)(F)F)cc3)c2ncn1C1CC1.
What is the InChIKey of 3-cyclopropyl-5-fluoro-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is IFVPHTANQJGPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N3O/c18-15-13-14(23-8-24(16(13)25)11-5-6-11)12(7-22-15)9-1-3-10(4-2-9)17(19,20)21/h1-4,7-8,11H,5-6H2.
What are the key properties of 3-cyclopropyl-5-fluoro-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one?
3-cyclopropyl-5-fluoro-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 349.29 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-fluoro-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 169259165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).