methyl 6-amino-5-cyano-3-ethyl-1,4-diphenylpyrano[3,2-d]pyrazole-4-carboxylate

C23H20N4O3 — CID 134695230

IUPACmethyl 6-amino-5-cyano-3-ethyl-1,4-diphenylpyrano[3,2-d]pyrazole-4-carboxylate
SMILESCCc1nn(-c2ccccc2)c2c1C(C(=O)OC)(c1ccccc1)C(C#N)=C(N)O2
InChIInChI=1S/C23H20N4O3/c1-3-18-19-21(27(26-18)16-12-8-5-9-13-16)30-20(25)17(14-24)23(19,22(28)29-2)15-10-6-4-7-11-15/h4-13H,3,25H2,1-2H3
InChIKeyMQXDIYORACVVEA-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.98
Rot. Bonds4

About methyl 6-amino-5-cyano-3-ethyl-1,4-diphenylpyrano[3,2-d]pyrazole-4-carboxylate

methyl 6-amino-5-cyano-3-ethyl-1,4-diphenylpyrano[3,2-d]pyrazole-4-carboxylate (PubChem CID 134695230) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is methyl 6-amino-5-cyano-3-ethyl-1,4-diphenylpyrano[3,2-d]pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-cyano-3-ethyl-1,4-diphenylpyrano[3,2-d]pyrazole-4-carboxylate
PubChem CID134695230
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Namemethyl 6-amino-5-cyano-3-ethyl-1,4-diphenylpyrano[3,2-d]pyrazole-4-carboxylate
SMILESCCc1nn(-c2ccccc2)c2c1C(C(=O)OC)(c1ccccc1)C(C#N)=C(N)O2
InChIInChI=1S/C23H20N4O3/c1-3-18-19-21(27(26-18)16-12-8-5-9-13-16)30-20(25)17(14-24)23(19,22(28)29-2)15-10-6-4-7-11-15/h4-13H,3,25H2,1-2H3
InChIKeyMQXDIYORACVVEA-UHFFFAOYSA-N
XLogP2.98
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-cyano-3-ethyl-1,4-diphenylpyrano[3,2-d]pyrazole-4-carboxylate?
The IUPAC name of methyl 6-amino-5-cyano-3-ethyl-1,4-diphenylpyrano[3,2-d]pyrazole-4-carboxylate (CID 134695230) is methyl 6-amino-5-cyano-3-ethyl-1,4-diphenylpyrano[3,2-d]pyrazole-4-carboxylate.
What is the SMILES notation for methyl 6-amino-5-cyano-3-ethyl-1,4-diphenylpyrano[3,2-d]pyrazole-4-carboxylate?
The canonical SMILES for methyl 6-amino-5-cyano-3-ethyl-1,4-diphenylpyrano[3,2-d]pyrazole-4-carboxylate is CCc1nn(-c2ccccc2)c2c1C(C(=O)OC)(c1ccccc1)C(C#N)=C(N)O2.
What is the InChIKey of methyl 6-amino-5-cyano-3-ethyl-1,4-diphenylpyrano[3,2-d]pyrazole-4-carboxylate?
The InChIKey is MQXDIYORACVVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-3-18-19-21(27(26-18)16-12-8-5-9-13-16)30-20(25)17(14-24)23(19,22(28)29-2)15-10-6-4-7-11-15/h4-13H,3,25H2,1-2H3.
What are the key properties of methyl 6-amino-5-cyano-3-ethyl-1,4-diphenylpyrano[3,2-d]pyrazole-4-carboxylate?
methyl 6-amino-5-cyano-3-ethyl-1,4-diphenylpyrano[3,2-d]pyrazole-4-carboxylate has a molecular weight of 400.44 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-cyano-3-ethyl-1,4-diphenylpyrano[3,2-d]pyrazole-4-carboxylate is sourced from PubChem (CID 134695230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).