methyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate

C19H17N3O6 — CID 3726499

IUPACmethyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate
SMILESCOC(=O)CN1C(=O)C2(C(C#N)=C(N)OC(C)=C2C(=O)OC)c2ccccc21
InChIInChI=1S/C19H17N3O6/c1-10-15(17(24)27-3)19(12(8-20)16(21)28-10)11-6-4-5-7-13(11)22(18(19)25)9-14(23)26-2/h4-7H,9,21H2,1-3H3
InChIKeyPITBQQDSFFTZJZ-UHFFFAOYSA-N
MW383.36 g/mol
LogP0.62
Rot. Bonds3

About methyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate

methyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate (PubChem CID 3726499) has the molecular formula C19H17N3O6 and a molecular weight of 383.36 g/mol. Its IUPAC name is methyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate.

Molecular Properties

Compound Namemethyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate
PubChem CID3726499
Molecular FormulaC19H17N3O6
Molecular Weight383.36 g/mol
Exact Mass383.11
IUPAC Namemethyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate
SMILESCOC(=O)CN1C(=O)C2(C(C#N)=C(N)OC(C)=C2C(=O)OC)c2ccccc21
InChIInChI=1S/C19H17N3O6/c1-10-15(17(24)27-3)19(12(8-20)16(21)28-10)11-6-4-5-7-13(11)22(18(19)25)9-14(23)26-2/h4-7H,9,21H2,1-3H3
InChIKeyPITBQQDSFFTZJZ-UHFFFAOYSA-N
XLogP0.62
TPSA131.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-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

Frequently Asked Questions

What is the IUPAC name of methyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate?
The IUPAC name of methyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate (CID 3726499) is methyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate.
What is the SMILES notation for methyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate?
The canonical SMILES for methyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate is COC(=O)CN1C(=O)C2(C(C#N)=C(N)OC(C)=C2C(=O)OC)c2ccccc21.
What is the InChIKey of methyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate?
The InChIKey is PITBQQDSFFTZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O6/c1-10-15(17(24)27-3)19(12(8-20)16(21)28-10)11-6-4-5-7-13(11)22(18(19)25)9-14(23)26-2/h4-7H,9,21H2,1-3H3.
What are the key properties of methyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate?
methyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate has a molecular weight of 383.36 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate is sourced from PubChem (CID 3726499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).