methyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-propylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate

C22H23N3O5 — CID 18886329

IUPACmethyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-propylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
SMILESCCCN1C(=O)C2(C(C(=O)OC)=C(N)Oc3cc(C)n(C)c(=O)c32)c2ccccc21
InChIInChI=1S/C22H23N3O5/c1-5-10-25-14-9-7-6-8-13(14)22(21(25)28)16-15(11-12(2)24(3)19(16)26)30-18(23)17(22)20(27)29-4/h6-9,11H,5,10,23H2,1-4H3
InChIKeyMANGXNQZMFDZCN-UHFFFAOYSA-N
MW409.44 g/mol
LogP1.47
Rot. Bonds3

About methyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-propylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate

methyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-propylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate (PubChem CID 18886329) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is methyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-propylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate.

Molecular Properties

Compound Namemethyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-propylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
PubChem CID18886329
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Namemethyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-propylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
SMILESCCCN1C(=O)C2(C(C(=O)OC)=C(N)Oc3cc(C)n(C)c(=O)c32)c2ccccc21
InChIInChI=1S/C22H23N3O5/c1-5-10-25-14-9-7-6-8-13(14)22(21(25)28)16-15(11-12(2)24(3)19(16)26)30-18(23)17(22)20(27)29-4/h6-9,11H,5,10,23H2,1-4H3
InChIKeyMANGXNQZMFDZCN-UHFFFAOYSA-N
XLogP1.47
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-propylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-propylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
The IUPAC name of methyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-propylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate (CID 18886329) is methyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-propylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate.
What is the SMILES notation for methyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-propylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
The canonical SMILES for methyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-propylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate is CCCN1C(=O)C2(C(C(=O)OC)=C(N)Oc3cc(C)n(C)c(=O)c32)c2ccccc21.
What is the InChIKey of methyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-propylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
The InChIKey is MANGXNQZMFDZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-5-10-25-14-9-7-6-8-13(14)22(21(25)28)16-15(11-12(2)24(3)19(16)26)30-18(23)17(22)20(27)29-4/h6-9,11H,5,10,23H2,1-4H3.
What are the key properties of methyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-propylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
methyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-propylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate has a molecular weight of 409.44 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-propylspiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate is sourced from PubChem (CID 18886329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).