3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione

C24H28F3N3O4 — CID 118875530

IUPAC3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)CCc1c(Cc2cccc(OC(F)(F)F)c2)cnc2c1c(=O)n(CCCO)c(=O)n2C
InChIInChI=1S/C24H28F3N3O4/c1-15(2)8-9-19-17(12-16-6-4-7-18(13-16)34-24(25,26)27)14-28-21-20(19)22(32)30(10-5-11-31)23(33)29(21)3/h4,6-7,13-15,31H,5,8-12H2,1-3H3
InChIKeyCWEIDMAVIAXIEO-UHFFFAOYSA-N
MW479.50 g/mol
LogP3.56
Rot. Bonds9

About 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione

3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 118875530) has the molecular formula C24H28F3N3O4 and a molecular weight of 479.50 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID118875530
Molecular FormulaC24H28F3N3O4
Molecular Weight479.50 g/mol
Exact Mass479.20
IUPAC Name3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)CCc1c(Cc2cccc(OC(F)(F)F)c2)cnc2c1c(=O)n(CCCO)c(=O)n2C
InChIInChI=1S/C24H28F3N3O4/c1-15(2)8-9-19-17(12-16-6-4-7-18(13-16)34-24(25,26)27)14-28-21-20(19)22(32)30(10-5-11-31)23(33)29(21)3/h4,6-7,13-15,31H,5,8-12H2,1-3H3
InChIKeyCWEIDMAVIAXIEO-UHFFFAOYSA-N
XLogP3.56
TPSA86.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[[3-(trifluoromethoxy)phenyl]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-Benzyl-3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethoxy)phenyl]pyrido[3,4-d]pyrimidine-2,4-dione
CID 118874989
3-Butyl-6-(2-hydroxy-5-methoxybenzoyl)-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
CID 2110953
1-Benzyl-6-(2-hydroxy-5-methoxybenzoyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 2439490
6-(2-Hydroxy-5-methoxybenzoyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 4969413
Pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, 7-amino-6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-
CID 71449608
3-(3-hydroxypropyl)-1-methyl-6-(3-(trifluoromethyl)phenoxy)-5-((6-(trifluoromethyl)pyridin-3-yl)methyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875482
5-[(5-Chloropyridin-2-yl)methyl]-3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 118875492
5-(1-hydroxy-3-methylbutyl)-3-(3-hydroxypropyl)-1-methyl-6-(3-(trifluoromethoxy)phenoxy)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875501
5-benzyl-3-(3-hydroxypropyl)-6-(3-isopropyl phenoxy)-1-methylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875502
3-(3-hydroxypropyl)-5-isopentyl-1-methyl-6-(3-(trifluoromethoxy)phenoxy)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875503
5-(4-chlorobenzyl)-3-(3-hydroxypropyl)-6-isopropoxy-1-methylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875505
6-(3-(trifluoromethoxy)benzyl)-5-(4-chlorobenzyl)-3-(3-hydroxy propyl)-1-methylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875508

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 118875530) is 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione is CC(C)CCc1c(Cc2cccc(OC(F)(F)F)c2)cnc2c1c(=O)n(CCCO)c(=O)n2C.
What is the InChIKey of 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CWEIDMAVIAXIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O4/c1-15(2)8-9-19-17(12-16-6-4-7-18(13-16)34-24(25,26)27)14-28-21-20(19)22(32)30(10-5-11-31)23(33)29(21)3/h4,6-7,13-15,31H,5,8-12H2,1-3H3.
What are the key properties of 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 479.50 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-1-methyl-5-(3-methylbutyl)-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 118875530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).