ethyl 6-methoxy-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline-3-carboxylate

C23H25N7O3 — CID 134149052

IUPACethyl 6-methoxy-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1N1CCN(c2cc(C)nc3ncnn23)CC1
InChIInChI=1S/C23H25N7O3/c1-4-33-22(31)18-13-24-19-6-5-16(32-3)12-17(19)21(18)29-9-7-28(8-10-29)20-11-15(2)27-23-25-14-26-30(20)23/h5-6,11-14H,4,7-10H2,1-3H3
InChIKeyLCVWGURXKMSYQV-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.49
Rot. Bonds5

About ethyl 6-methoxy-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline-3-carboxylate

ethyl 6-methoxy-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline-3-carboxylate (PubChem CID 134149052) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is ethyl 6-methoxy-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methoxy-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline-3-carboxylate
PubChem CID134149052
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC Nameethyl 6-methoxy-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OC)cc2c1N1CCN(c2cc(C)nc3ncnn23)CC1
InChIInChI=1S/C23H25N7O3/c1-4-33-22(31)18-13-24-19-6-5-16(32-3)12-17(19)21(18)29-9-7-28(8-10-29)20-11-15(2)27-23-25-14-26-30(20)23/h5-6,11-14H,4,7-10H2,1-3H3
InChIKeyLCVWGURXKMSYQV-UHFFFAOYSA-N
XLogP2.49
TPSA97.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze ethyl 6-methoxy-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline-3-carboxylate 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

Tak-603
CID 153980
6-[4-(Benzyloxy)phenyl]-1-(Pyridin-4-Ylmethyl)-1h-Pyrazolo[3,4-B]pyridine-4-Carboxylic Acid
CID 60196212
Ethyl 4-(4-hydroxyanilino)-1,3-diphenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 11476465
N-methyl-4-(quinolin-2-ylmethoxy)-N-([1,2,4]triazolo[1,5-a]pyridin-7-yl)benzamide
CID 56596178
(E)-2-(2-(3-(3-methoxyphenyl)-8-morpholinoimidazo[1,2-b]pyridazin-2-yl)vinyl)quinoline-5-carboxylic acid
CID 117728432
2-Methoxy-4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 117728466
2-[(E)-2-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)ethenyl]quinoline-3-carboxylic acid
CID 121596883
6-(4-Methoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 2088728
Ethyl 8-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate
CID 15998972
6-(4-Methoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600544
6-(4-Octoxyphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600545
Ethyl 2-amino-4-(7-methoxytetrazolo[1,5-a]quinolin-4-yl)-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carboxylate
CID 118710987

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methoxy-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline-3-carboxylate?
The IUPAC name of ethyl 6-methoxy-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline-3-carboxylate (CID 134149052) is ethyl 6-methoxy-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-methoxy-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-methoxy-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(OC)cc2c1N1CCN(c2cc(C)nc3ncnn23)CC1.
What is the InChIKey of ethyl 6-methoxy-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline-3-carboxylate?
The InChIKey is LCVWGURXKMSYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-4-33-22(31)18-13-24-19-6-5-16(32-3)12-17(19)21(18)29-9-7-28(8-10-29)20-11-15(2)27-23-25-14-26-30(20)23/h5-6,11-14H,4,7-10H2,1-3H3.
What are the key properties of ethyl 6-methoxy-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline-3-carboxylate?
ethyl 6-methoxy-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline-3-carboxylate has a molecular weight of 447.50 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methoxy-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline-3-carboxylate is sourced from PubChem (CID 134149052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).