3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione

C25H23F3N4O4 — CID 122527071

IUPAC3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cccc(Oc2cnc3c(c2Cc2ccc(C(F)(F)F)nc2)c(=O)n(CCCO)c(=O)n3C)c1
InChIInChI=1S/C25H23F3N4O4/c1-15-5-3-6-17(11-15)36-19-14-30-22-21(23(34)32(9-4-10-33)24(35)31(22)2)18(19)12-16-7-8-20(29-13-16)25(26,27)28/h3,5-8,11,13-14,33H,4,9-10,12H2,1-2H3
InChIKeyKJDVWMPSQNQMIG-UHFFFAOYSA-N
MW500.48 g/mol
LogP3.58
Rot. Bonds7

About 3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione

3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 122527071) has the molecular formula C25H23F3N4O4 and a molecular weight of 500.48 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID122527071
Molecular FormulaC25H23F3N4O4
Molecular Weight500.48 g/mol
Exact Mass500.17
IUPAC Name3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1cccc(Oc2cnc3c(c2Cc2ccc(C(F)(F)F)nc2)c(=O)n(CCCO)c(=O)n3C)c1
InChIInChI=1S/C25H23F3N4O4/c1-15-5-3-6-17(11-15)36-19-14-30-22-21(23(34)32(9-4-10-33)24(35)31(22)2)18(19)12-16-7-8-20(29-13-16)25(26,27)28/h3,5-8,11,13-14,33H,4,9-10,12H2,1-2H3
InChIKeyKJDVWMPSQNQMIG-UHFFFAOYSA-N
XLogP3.58
TPSA99.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]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

N-[(3S)-5-(2-methoxypyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide
CID 66814110
2-((3-fluorophenoxy)methyl)-6-(5-fluoropyridin-2-yl)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 68008189
5-Benzyl-3-(3-hydroxypropyl)-1-methyl-6-[3-(trifluoromethoxy)phenyl]pyrido[3,4-d]pyrimidine-2,4-dione
CID 118874989
(R)-6'-(Hydroxymethyl)-2-(3-hydroxypyrrolidin-1-yl)-N-(4-(trifluoromethoxy)phenyl)-[3,3'-bipyridine]-5-carboxamide
CID 118195311
6-(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 71624698
6-(6-butoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 127039588
3-(3-hydroxypropyl)-1-methyl-6-(3-(trifluoromethoxy)phenoxy)-5-((6-(trifluoromethyl)pyridin-3-yl)methyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875472
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-(4-chlorobenzyl)-3-(3-hydroxypropyl)-1-methyl-6-(5-methylpyridin-3-yloxy)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875489
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-(4-chlorobenzyl)-3-(3-hydroxypropyl)-1-methyl-6-(pyridin-3-yloxy)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875495
5-(4-chlorobenzyl)-6-((5-fluoropyridin-3-yl)oxy)-3-(3-hydroxypropyl)-1-methyl pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118875498

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 122527071) is 3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione is Cc1cccc(Oc2cnc3c(c2Cc2ccc(C(F)(F)F)nc2)c(=O)n(CCCO)c(=O)n3C)c1.
What is the InChIKey of 3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is KJDVWMPSQNQMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O4/c1-15-5-3-6-17(11-15)36-19-14-30-22-21(23(34)32(9-4-10-33)24(35)31(22)2)18(19)12-16-7-8-20(29-13-16)25(26,27)28/h3,5-8,11,13-14,33H,4,9-10,12H2,1-2H3.
What are the key properties of 3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione?
3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 500.48 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-1-methyl-6-(3-methylphenoxy)-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 122527071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).