ethyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate

C25H27N3O6 — CID 18886439

IUPACethyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2C12C(=O)N(CC1CCCO1)c1ccccc12
InChIInChI=1S/C25H27N3O6/c1-4-32-23(30)20-21(26)34-18-12-14(2)27(3)22(29)19(18)25(20)16-9-5-6-10-17(16)28(24(25)31)13-15-8-7-11-33-15/h5-6,9-10,12,15H,4,7-8,11,13,26H2,1-3H3
InChIKeyAHEYKQHHEFBSST-UHFFFAOYSA-N
MW465.51 g/mol
LogP1.63
Rot. Bonds4

About ethyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate

ethyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate (PubChem CID 18886439) has the molecular formula C25H27N3O6 and a molecular weight of 465.51 g/mol. Its IUPAC name is ethyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate.

Molecular Properties

Compound Nameethyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
PubChem CID18886439
Molecular FormulaC25H27N3O6
Molecular Weight465.51 g/mol
Exact Mass465.19
IUPAC Nameethyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2C12C(=O)N(CC1CCCO1)c1ccccc12
InChIInChI=1S/C25H27N3O6/c1-4-32-23(30)20-21(26)34-18-12-14(2)27(3)22(29)19(18)25(20)16-9-5-6-10-17(16)28(24(25)31)13-15-8-7-11-33-15/h5-6,9-10,12,15H,4,7-8,11,13,26H2,1-3H3
InChIKeyAHEYKQHHEFBSST-UHFFFAOYSA-N
XLogP1.63
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-(oxolan-2-ylmethyl)spiro[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 ethyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
The IUPAC name of ethyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate (CID 18886439) is ethyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate.
What is the SMILES notation for ethyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
The canonical SMILES for ethyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate is CCOC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2C12C(=O)N(CC1CCCO1)c1ccccc12.
What is the InChIKey of ethyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
The InChIKey is AHEYKQHHEFBSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6/c1-4-32-23(30)20-21(26)34-18-12-14(2)27(3)22(29)19(18)25(20)16-9-5-6-10-17(16)28(24(25)31)13-15-8-7-11-33-15/h5-6,9-10,12,15H,4,7-8,11,13,26H2,1-3H3.
What are the key properties of ethyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
ethyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate has a molecular weight of 465.51 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2'-amino-6',7'-dimethyl-2,5'-dioxo-1-(oxolan-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate is sourced from PubChem (CID 18886439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).