3-(2-hydroxy-2-pyridin-3-ylethyl)-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

C16H13F3N4O3 — CID 167764516

IUPAC3-(2-hydroxy-2-pyridin-3-ylethyl)-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)n(CC(O)c2cccnc2)c(=O)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C16H13F3N4O3/c1-22-13-10(4-5-12(21-13)16(17,18)19)14(25)23(15(22)26)8-11(24)9-3-2-6-20-7-9/h2-7,11,24H,8H2,1H3
InChIKeyQUZKGRCAXGUEOX-UHFFFAOYSA-N
MW366.30 g/mol
LogP1.24
Rot. Bonds3

About 3-(2-hydroxy-2-pyridin-3-ylethyl)-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione

3-(2-hydroxy-2-pyridin-3-ylethyl)-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 167764516) has the molecular formula C16H13F3N4O3 and a molecular weight of 366.30 g/mol. Its IUPAC name is 3-(2-hydroxy-2-pyridin-3-ylethyl)-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxy-2-pyridin-3-ylethyl)-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID167764516
Molecular FormulaC16H13F3N4O3
Molecular Weight366.30 g/mol
Exact Mass366.09
IUPAC Name3-(2-hydroxy-2-pyridin-3-ylethyl)-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)n(CC(O)c2cccnc2)c(=O)c2ccc(C(F)(F)F)nc21
InChIInChI=1S/C16H13F3N4O3/c1-22-13-10(4-5-12(21-13)16(17,18)19)14(25)23(15(22)26)8-11(24)9-3-2-6-20-7-9/h2-7,11,24H,8H2,1H3
InChIKeyQUZKGRCAXGUEOX-UHFFFAOYSA-N
XLogP1.24
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(2-hydroxy-2-pyridin-3-ylethyl)-1-methyl-7-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-pyridin-3-ylethyl)-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(2-hydroxy-2-pyridin-3-ylethyl)-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 167764516) is 3-(2-hydroxy-2-pyridin-3-ylethyl)-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-hydroxy-2-pyridin-3-ylethyl)-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-hydroxy-2-pyridin-3-ylethyl)-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)n(CC(O)c2cccnc2)c(=O)c2ccc(C(F)(F)F)nc21.
What is the InChIKey of 3-(2-hydroxy-2-pyridin-3-ylethyl)-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is QUZKGRCAXGUEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O3/c1-22-13-10(4-5-12(21-13)16(17,18)19)14(25)23(15(22)26)8-11(24)9-3-2-6-20-7-9/h2-7,11,24H,8H2,1H3.
What are the key properties of 3-(2-hydroxy-2-pyridin-3-ylethyl)-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione?
3-(2-hydroxy-2-pyridin-3-ylethyl)-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 366.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-pyridin-3-ylethyl)-1-methyl-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 167764516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).