6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione

C25H24FN3O3 — CID 145017535

IUPAC6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc(Cc2c(-c3cccc(F)c3)cnc3c2c(=O)n(CCCO)c(=O)n3C)cc1
InChIInChI=1S/C25H24FN3O3/c1-16-7-9-17(10-8-16)13-20-21(18-5-3-6-19(26)14-18)15-27-23-22(20)24(31)29(11-4-12-30)25(32)28(23)2/h3,5-10,14-15,30H,4,11-13H2,1-2H3
InChIKeyRQDWBDPOPKBXMP-UHFFFAOYSA-N
MW433.48 g/mol
LogP3.18
Rot. Bonds6

About 6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione

6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 145017535) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID145017535
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC Name6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc(Cc2c(-c3cccc(F)c3)cnc3c2c(=O)n(CCCO)c(=O)n3C)cc1
InChIInChI=1S/C25H24FN3O3/c1-16-7-9-17(10-8-16)13-20-21(18-5-3-6-19(26)14-18)15-27-23-22(20)24(31)29(11-4-12-30)25(32)28(23)2/h3,5-10,14-15,30H,4,11-13H2,1-2H3
InChIKeyRQDWBDPOPKBXMP-UHFFFAOYSA-N
XLogP3.18
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione 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

5-[(5-chloro-2-pyridinyl)methyl]-6-[3-(1,1-difluoroethoxy)phenyl]-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 122527069
5-benzyl-6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione;5-benzyl-3-(3-hydroxypropyl)-1-methyl-6-(3-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[(5-methyl-3-pyridinyl)oxy]pyrido[2,3-d]pyrimidine-2,4-dione;3-(3-hydroxypropyl)-1-methyl-6-[[5-(trifluoromethoxy)-3-pyridinyl]oxy]-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 163604451
5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione
CID 118875505
5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-pyridin-3-yloxypyrido[2,3-d]pyrimidine-2,4-dione
CID 118875495
5-[(4-chlorophenyl)-hydroxymethyl]-3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-propan-2-yloxypyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-chlorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione;5-[(5-chloro-2-pyridinyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione;5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-(2-propan-2-ylphenoxy)pyrido[2,3-d]pyrimidine-2,4-dione
CID 163631812
3-[5-[(4-chlorophenyl)methyl]-1-methyl-2,4-dioxo-6-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-3-yl]propyl formate
CID 118875886
3-[1-methyl-5-[(4-methylphenyl)methyl]-6-[(6-methyl-3-pyridinyl)oxy]-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]propyl formate
CID 163497718
1-(3-hydroxypropyl)-3-methyl-7-[(4-methylphenyl)methyl]-8-[2-[3-(trifluoromethoxy)phenoxy]ethoxy]purine-2,6-dione
CID 162593363
8-(2-chlorophenyl)-1-(3-hydroxypropyl)-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
CID 158307494
1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenoxy)-7-[(4-methylphenyl)methyl]purine-2,6-dione
CID 135269387
8-(1-hydroxyethyl)-1-(3-hydroxypropyl)-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
CID 135269276
8-[3-(difluoromethoxy)phenoxy]-1-(3-hydroxypropyl)-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
CID 162570477

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 145017535) is 6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione is Cc1ccc(Cc2c(-c3cccc(F)c3)cnc3c2c(=O)n(CCCO)c(=O)n3C)cc1.
What is the InChIKey of 6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is RQDWBDPOPKBXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-16-7-9-17(10-8-16)13-20-21(18-5-3-6-19(26)14-18)15-27-23-22(20)24(31)29(11-4-12-30)25(32)28(23)2/h3,5-10,14-15,30H,4,11-13H2,1-2H3.
What are the key properties of 6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 433.48 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-3-(3-hydroxypropyl)-1-methyl-5-[(4-methylphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 145017535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).