ethyl 1-[7-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazole-4-carboxylate

C20H20N6O4 — CID 118323874

IUPACethyl 1-[7-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2nc(OC)c3c(cnn3Cc3ccc(OC)cc3)n2)c1
InChIInChI=1S/C20H20N6O4/c1-4-30-19(27)14-9-21-26(12-14)20-23-16-10-22-25(17(16)18(24-20)29-3)11-13-5-7-15(28-2)8-6-13/h5-10,12H,4,11H2,1-3H3
InChIKeyCTHUJEVUBLDVPB-UHFFFAOYSA-N
MW408.42 g/mol
LogP2.25
Rot. Bonds7

About ethyl 1-[7-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazole-4-carboxylate

ethyl 1-[7-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazole-4-carboxylate (PubChem CID 118323874) has the molecular formula C20H20N6O4 and a molecular weight of 408.42 g/mol. Its IUPAC name is ethyl 1-[7-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[7-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazole-4-carboxylate
PubChem CID118323874
Molecular FormulaC20H20N6O4
Molecular Weight408.42 g/mol
Exact Mass408.15
IUPAC Nameethyl 1-[7-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2nc(OC)c3c(cnn3Cc3ccc(OC)cc3)n2)c1
InChIInChI=1S/C20H20N6O4/c1-4-30-19(27)14-9-21-26(12-14)20-23-16-10-22-25(17(16)18(24-20)29-3)11-13-5-7-15(28-2)8-6-13/h5-10,12H,4,11H2,1-3H3
InChIKeyCTHUJEVUBLDVPB-UHFFFAOYSA-N
XLogP2.25
TPSA106.18 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze ethyl 1-[7-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazole-4-carboxylate 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 ethyl 1-[7-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[7-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazole-4-carboxylate (CID 118323874) is ethyl 1-[7-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[7-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[7-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2nc(OC)c3c(cnn3Cc3ccc(OC)cc3)n2)c1.
What is the InChIKey of ethyl 1-[7-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazole-4-carboxylate?
The InChIKey is CTHUJEVUBLDVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O4/c1-4-30-19(27)14-9-21-26(12-14)20-23-16-10-22-25(17(16)18(24-20)29-3)11-13-5-7-15(28-2)8-6-13/h5-10,12H,4,11H2,1-3H3.
What are the key properties of ethyl 1-[7-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazole-4-carboxylate?
ethyl 1-[7-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazole-4-carboxylate has a molecular weight of 408.42 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[7-methoxy-1-[(4-methoxyphenyl)methyl]pyrazolo[4,5-d]pyrimidin-5-yl]pyrazole-4-carboxylate is sourced from PubChem (CID 118323874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).