ethyl 1-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate

C19H23N7O2 — CID 133475795

IUPACethyl 1-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2C)c1N1CCN(c2ccnc(C)n2)CC1
InChIInChI=1S/C19H23N7O2/c1-4-28-19(27)15-11-21-18-14(12-22-24(18)3)17(15)26-9-7-25(8-10-26)16-5-6-20-13(2)23-16/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyWCPLRYWSCGBDOG-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.57
Rot. Bonds4

About ethyl 1-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 1-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 133475795) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is ethyl 1-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID133475795
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Nameethyl 1-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2C)c1N1CCN(c2ccnc(C)n2)CC1
InChIInChI=1S/C19H23N7O2/c1-4-28-19(27)15-11-21-18-14(12-22-24(18)3)17(15)26-9-7-25(8-10-26)16-5-6-20-13(2)23-16/h5-6,11-12H,4,7-10H2,1-3H3
InChIKeyWCPLRYWSCGBDOG-UHFFFAOYSA-N
XLogP1.57
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 1-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[3,4-b]pyridine-5-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

ethyl 1-methyl-4-(4-pyridin-2-yl-1,4-diazepan-1-yl)pyrazolo[3,4-b]pyridine-5-carboxylate
CID 133475802
ethyl 1-methyl-4-[(3R)-3-methylsulfanylazepan-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 99624269
ethyl 1-methyl-4-(8-methyl-2-azaspiro[4.4]nonan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxylate
CID 133475735
ethyl 4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 162661132
ethyl 5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 122672896
ethyl 4-(4-methylpiperazin-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylate
CID 1191908
ethyl 4-methyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylate
CID 102972483
ethyl 4-piperazin-1-ylquinoline-3-carboxylate
CID 13295826
ethyl 4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylate
CID 133277711
1-(3-ethoxycarbonylquinolin-4-yl)piperidine-4-carboxylic acid
CID 122047501
ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate
CID 2762483
ethyl 2-[[4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]amino]benzoate
CID 112888365

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 1-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate (CID 133475795) is ethyl 1-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(cnn2C)c1N1CCN(c2ccnc(C)n2)CC1.
What is the InChIKey of ethyl 1-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is WCPLRYWSCGBDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-4-28-19(27)15-11-21-18-14(12-22-24(18)3)17(15)26-9-7-25(8-10-26)16-5-6-20-13(2)23-16/h5-6,11-12H,4,7-10H2,1-3H3.
What are the key properties of ethyl 1-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 1-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 381.44 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 133475795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).