5-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-6-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine-2-carboxylic acid

C18H12F3N5O4S — CID 178097486

IUPAC5-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-6-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine-2-carboxylic acid
SMILESCc1nc2cc(C(F)(F)F)c(C(C)Oc3ccc4nc(C(=O)O)sc4n3)nc2c(=O)[nH]1
InChIInChI=1S/C18H12F3N5O4S/c1-6(30-11-4-3-9-15(25-11)31-16(24-9)17(28)29)12-8(18(19,20)21)5-10-13(26-12)14(27)23-7(2)22-10/h3-6H,1-2H3,(H,28,29)(H,22,23,27)
InChIKeyFVSXVTZEJPFJAB-UHFFFAOYSA-N
MW451.39 g/mol
LogP3.49
Rot. Bonds4

About 5-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-6-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine-2-carboxylic acid

5-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-6-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine-2-carboxylic acid (PubChem CID 178097486) has the molecular formula C18H12F3N5O4S and a molecular weight of 451.39 g/mol. Its IUPAC name is 5-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-6-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-6-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine-2-carboxylic acid
PubChem CID178097486
Molecular FormulaC18H12F3N5O4S
Molecular Weight451.39 g/mol
Exact Mass451.06
IUPAC Name5-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-6-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine-2-carboxylic acid
SMILESCc1nc2cc(C(F)(F)F)c(C(C)Oc3ccc4nc(C(=O)O)sc4n3)nc2c(=O)[nH]1
InChIInChI=1S/C18H12F3N5O4S/c1-6(30-11-4-3-9-15(25-11)31-16(24-9)17(28)29)12-8(18(19,20)21)5-10-13(26-12)14(27)23-7(2)22-10/h3-6H,1-2H3,(H,28,29)(H,22,23,27)
InChIKeyFVSXVTZEJPFJAB-UHFFFAOYSA-N
XLogP3.49
TPSA130.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.39
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-6-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine-2-carboxylic acid 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-(1-aminoethyl)-2-methyl-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 178098237
6-[(1S)-1-[[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-[1,3]thiazolo[5,4-b]pyridin-5-yl]amino]ethyl]-2-methyl-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 178098327
2-methyl-6-[2,2,2-trifluoro-1-[[5-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]ethyl]-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 178097181
2-methyl-4-oxo-3H-thieno[3,2-d]pyrimidine-6-carboxylic acid
CID 136597140
methyl 3-fluoro-4-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-quinazolin-6-yl]ethoxy]benzoate
CID 178097194
6-(1-aminoethyl)-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097284
7-chloro-6-[1-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenoxy]ethyl]-2-methyl-3H-pyrido[3,2-d]pyrimidin-4-one
CID 178098239
2-methylpropane;2-methyl-6-[(E)-sulfanyliminomethyl]-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097651
6-bromo-2,5-dimethyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097192
2-methyl-6-[2,2,2-trifluoro-1-[[5-(4-hydroxy-3,5-dimethylpiperidine-1-carbonyl)-2-pyridinyl]oxy]ethyl]-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097025
6-[(1R)-1-[[5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-2-pyridinyl]oxy]-2,2,2-trifluoroethyl]-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178098299
6-methyl-5-[[2-methyl-4-oxo-7-(trifluoromethyl)-3H-quinazolin-6-yl]methylamino]pyridine-2-carboxylic acid
CID 178097734

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-6-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine-2-carboxylic acid?
The IUPAC name of 5-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-6-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine-2-carboxylic acid (CID 178097486) is 5-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-6-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-6-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-6-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine-2-carboxylic acid is Cc1nc2cc(C(F)(F)F)c(C(C)Oc3ccc4nc(C(=O)O)sc4n3)nc2c(=O)[nH]1.
What is the InChIKey of 5-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-6-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine-2-carboxylic acid?
The InChIKey is FVSXVTZEJPFJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5O4S/c1-6(30-11-4-3-9-15(25-11)31-16(24-9)17(28)29)12-8(18(19,20)21)5-10-13(26-12)14(27)23-7(2)22-10/h3-6H,1-2H3,(H,28,29)(H,22,23,27).
What are the key properties of 5-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-6-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine-2-carboxylic acid?
5-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-6-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine-2-carboxylic acid has a molecular weight of 451.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-pyrido[3,2-d]pyrimidin-6-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 178097486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).