ethyl 6-amino-5-cyano-4-(5-methoxy-2-pyrazol-1-ylphenyl)-2-methyl-4H-pyran-3-carboxylate

C20H20N4O4 — CID 169390521

IUPACethyl 6-amino-5-cyano-4-(5-methoxy-2-pyrazol-1-ylphenyl)-2-methyl-4H-pyran-3-carboxylate
SMILESCCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc(OC)ccc1-n1cccn1
InChIInChI=1S/C20H20N4O4/c1-4-27-20(25)17-12(2)28-19(22)15(11-21)18(17)14-10-13(26-3)6-7-16(14)24-9-5-8-23-24/h5-10,18H,4,22H2,1-3H3
InChIKeySBRBIMYMOJCPOL-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.53
Rot. Bonds5

About ethyl 6-amino-5-cyano-4-(5-methoxy-2-pyrazol-1-ylphenyl)-2-methyl-4H-pyran-3-carboxylate

ethyl 6-amino-5-cyano-4-(5-methoxy-2-pyrazol-1-ylphenyl)-2-methyl-4H-pyran-3-carboxylate (PubChem CID 169390521) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is ethyl 6-amino-5-cyano-4-(5-methoxy-2-pyrazol-1-ylphenyl)-2-methyl-4H-pyran-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-5-cyano-4-(5-methoxy-2-pyrazol-1-ylphenyl)-2-methyl-4H-pyran-3-carboxylate
PubChem CID169390521
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Nameethyl 6-amino-5-cyano-4-(5-methoxy-2-pyrazol-1-ylphenyl)-2-methyl-4H-pyran-3-carboxylate
SMILESCCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc(OC)ccc1-n1cccn1
InChIInChI=1S/C20H20N4O4/c1-4-27-20(25)17-12(2)28-19(22)15(11-21)18(17)14-10-13(26-3)6-7-16(14)24-9-5-8-23-24/h5-10,18H,4,22H2,1-3H3
InChIKeySBRBIMYMOJCPOL-UHFFFAOYSA-N
XLogP2.53
TPSA112.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 6-amino-5-cyano-4-(5-methoxy-2-pyrazol-1-ylphenyl)-2-methyl-4H-pyran-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

ethyl 6-amino-4-(2-bromo-5-methoxyphenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 169390349
ethyl 6-amino-5-cyano-4-(4-methoxy-2-methylphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 169390462
ethyl (4S)-6-amino-5-cyano-4-(2,4-dimethoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 777256
ethyl (4R)-6-amino-5-cyano-4-(3-methoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 914620
ethyl 6-amino-5-cyano-4-[2-(cyanomethoxy)-4-methoxyphenyl]-2-methyl-4H-pyran-3-carboxylate
CID 169391456
ethyl (4R)-6-amino-4-(2-chloro-6-methoxyquinolin-3-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
CID 1130175
ethyl 6-amino-5-cyano-4-(2-hydroxy-5-methoxy-3-methylphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 169391105
methyl 6-amino-5-cyano-4-(2,5-dimethoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 3240776
ethyl (4S)-6-amino-5-cyano-4-(2-fluoro-5-methoxyphenyl)-2-phenyl-4H-pyran-3-carboxylate
CID 1003194
[3-(2-amino-3-cyano-5-ethoxycarbonyl-6-methyl-4H-pyran-4-yl)-4-methoxyphenyl]boronic acid
CID 169390451
ethyl 6-amino-5-cyano-4-(2-ethoxycarbonylphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 169391701
ethyl 6-amino-5-cyano-2-ethyl-4-(3-methoxyphenyl)-4H-pyran-3-carboxylate
CID 2839580

Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-5-cyano-4-(5-methoxy-2-pyrazol-1-ylphenyl)-2-methyl-4H-pyran-3-carboxylate?
The IUPAC name of ethyl 6-amino-5-cyano-4-(5-methoxy-2-pyrazol-1-ylphenyl)-2-methyl-4H-pyran-3-carboxylate (CID 169390521) is ethyl 6-amino-5-cyano-4-(5-methoxy-2-pyrazol-1-ylphenyl)-2-methyl-4H-pyran-3-carboxylate.
What is the SMILES notation for ethyl 6-amino-5-cyano-4-(5-methoxy-2-pyrazol-1-ylphenyl)-2-methyl-4H-pyran-3-carboxylate?
The canonical SMILES for ethyl 6-amino-5-cyano-4-(5-methoxy-2-pyrazol-1-ylphenyl)-2-methyl-4H-pyran-3-carboxylate is CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc(OC)ccc1-n1cccn1.
What is the InChIKey of ethyl 6-amino-5-cyano-4-(5-methoxy-2-pyrazol-1-ylphenyl)-2-methyl-4H-pyran-3-carboxylate?
The InChIKey is SBRBIMYMOJCPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-4-27-20(25)17-12(2)28-19(22)15(11-21)18(17)14-10-13(26-3)6-7-16(14)24-9-5-8-23-24/h5-10,18H,4,22H2,1-3H3.
What are the key properties of ethyl 6-amino-5-cyano-4-(5-methoxy-2-pyrazol-1-ylphenyl)-2-methyl-4H-pyran-3-carboxylate?
ethyl 6-amino-5-cyano-4-(5-methoxy-2-pyrazol-1-ylphenyl)-2-methyl-4H-pyran-3-carboxylate has a molecular weight of 380.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-5-cyano-4-(5-methoxy-2-pyrazol-1-ylphenyl)-2-methyl-4H-pyran-3-carboxylate is sourced from PubChem (CID 169390521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).