3-cyclopropyl-1-(2-fluorophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione

C18H16FN3O4 — CID 175675483

IUPAC3-cyclopropyl-1-(2-fluorophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCc1c(O)c2c(=O)n(C3CC3)c(=O)n(-c3ccccc3F)c2n(C)c1=O
InChIInChI=1S/C18H16FN3O4/c1-9-14(23)13-15(20(2)16(9)24)22(12-6-4-3-5-11(12)19)18(26)21(17(13)25)10-7-8-10/h3-6,10,23H,7-8H2,1-2H3
InChIKeyKLPCHDNJIGDEFH-UHFFFAOYSA-N
MW357.34 g/mol
LogP1.34
Rot. Bonds2

About 3-cyclopropyl-1-(2-fluorophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione

3-cyclopropyl-1-(2-fluorophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 175675483) has the molecular formula C18H16FN3O4 and a molecular weight of 357.34 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2-fluorophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name3-cyclopropyl-1-(2-fluorophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID175675483
Molecular FormulaC18H16FN3O4
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Name3-cyclopropyl-1-(2-fluorophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCc1c(O)c2c(=O)n(C3CC3)c(=O)n(-c3ccccc3F)c2n(C)c1=O
InChIInChI=1S/C18H16FN3O4/c1-9-14(23)13-15(20(2)16(9)24)22(12-6-4-3-5-11(12)19)18(26)21(17(13)25)10-7-8-10/h3-6,10,23H,7-8H2,1-2H3
InChIKeyKLPCHDNJIGDEFH-UHFFFAOYSA-N
XLogP1.34
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-cyclopropyl-1-(2-fluorophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione 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-[(4-Fluoroanilino)methylidene]-1,3,8-trimethyl-1,2,3,4,5,6,7,8-octahydropyrido[2,3-d]pyrimidine-2,4,5,7-tetraone
CID 135454261
5-hydroxy-1-phenylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione
CID 54683793
5-hydroxy-3-methyl-1-phenylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione
CID 54677776
5-hydroxy-1,3-dimethyl-8-phenylpyrido[2,3-d]pyrimidine-2,4,7(1H,3H,8H)-trione
CID 54687615
(Z)-4-[1,3-bis(2-fluorophenyl)-2,4-dioxo-pyrimidin-5-yl]-2-hydroxy-4-oxo-but-2-enoic acid
CID 134815662
(Z)-4-[1,3-bis(4-fluorophenyl)-2,4-dioxo-pyrimidin-5-yl]-2-hydroxy-4-oxo-but-2-enoic acid
CID 134815663
(Z)-4-[3-(4-fluorophenyl)-2,4-dioxo-1-phenyl-pyrimidin-5-yl]-2-hydroxy-4-oxo-but-2-enoic acid
CID 134815727
3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido(2,3-d)pyrimidine-2,4,7(1H,3H,8H)-trione
CID 59717004
5-Acetyl-1-but-3-en-2-yl-3-(3-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 53738407
5-Acetyl-1-but-3-en-2-yl-3-(4-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 54037454
5-Acetyl-1-(cyclopropylmethyl)-3-(2,6-difluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 54523914
1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,6,8-trimethyl-1H,8H-pyrido[2,3-d]pyrimidine-2,4,7-trione
CID 59717046

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2-fluorophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 3-cyclopropyl-1-(2-fluorophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione (CID 175675483) is 3-cyclopropyl-1-(2-fluorophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 3-cyclopropyl-1-(2-fluorophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 3-cyclopropyl-1-(2-fluorophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione is Cc1c(O)c2c(=O)n(C3CC3)c(=O)n(-c3ccccc3F)c2n(C)c1=O.
What is the InChIKey of 3-cyclopropyl-1-(2-fluorophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is KLPCHDNJIGDEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4/c1-9-14(23)13-15(20(2)16(9)24)22(12-6-4-3-5-11(12)19)18(26)21(17(13)25)10-7-8-10/h3-6,10,23H,7-8H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-(2-fluorophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione?
3-cyclopropyl-1-(2-fluorophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 357.34 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2-fluorophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 175675483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).