ethyl 2-amino-1'-(cyclopropylmethyl)-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate

C23H23N3O5 — CID 18886428

IUPACethyl 2-amino-1'-(cyclopropylmethyl)-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2C12C(=O)N(CC1CC1)c1ccccc12
InChIInChI=1S/C23H23N3O5/c1-3-30-21(28)18-19(24)31-16-10-12(2)25-20(27)17(16)23(18)14-6-4-5-7-15(14)26(22(23)29)11-13-8-9-13/h4-7,10,13H,3,8-9,11,24H2,1-2H3,(H,25,27)
InChIKeyIVGRTDGMUADPBJ-UHFFFAOYSA-N
MW421.45 g/mol
LogP1.85
Rot. Bonds4

About ethyl 2-amino-1'-(cyclopropylmethyl)-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate

ethyl 2-amino-1'-(cyclopropylmethyl)-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate (PubChem CID 18886428) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is ethyl 2-amino-1'-(cyclopropylmethyl)-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-1'-(cyclopropylmethyl)-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate
PubChem CID18886428
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Nameethyl 2-amino-1'-(cyclopropylmethyl)-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2C12C(=O)N(CC1CC1)c1ccccc12
InChIInChI=1S/C23H23N3O5/c1-3-30-21(28)18-19(24)31-16-10-12(2)25-20(27)17(16)23(18)14-6-4-5-7-15(14)26(22(23)29)11-13-8-9-13/h4-7,10,13H,3,8-9,11,24H2,1-2H3,(H,25,27)
InChIKeyIVGRTDGMUADPBJ-UHFFFAOYSA-N
XLogP1.85
TPSA114.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-amino-1'-(cyclopropylmethyl)-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-1'-(cyclopropylmethyl)-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate?
The IUPAC name of ethyl 2-amino-1'-(cyclopropylmethyl)-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate (CID 18886428) is ethyl 2-amino-1'-(cyclopropylmethyl)-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-1'-(cyclopropylmethyl)-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate?
The canonical SMILES for ethyl 2-amino-1'-(cyclopropylmethyl)-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate is CCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2C12C(=O)N(CC1CC1)c1ccccc12.
What is the InChIKey of ethyl 2-amino-1'-(cyclopropylmethyl)-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate?
The InChIKey is IVGRTDGMUADPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-3-30-21(28)18-19(24)31-16-10-12(2)25-20(27)17(16)23(18)14-6-4-5-7-15(14)26(22(23)29)11-13-8-9-13/h4-7,10,13H,3,8-9,11,24H2,1-2H3,(H,25,27).
What are the key properties of ethyl 2-amino-1'-(cyclopropylmethyl)-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate?
ethyl 2-amino-1'-(cyclopropylmethyl)-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate has a molecular weight of 421.45 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-1'-(cyclopropylmethyl)-7-methyl-2',5-dioxospiro[6H-pyrano[3,2-c]pyridine-4,3'-indole]-3-carboxylate is sourced from PubChem (CID 18886428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).