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

C25H27N3O5 — CID 18886336

IUPACmethyl 2'-amino-6'-cyclopropyl-7'-methyl-1-(2-methylpropyl)-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(C3CC3)c(=O)c2C12C(=O)N(CC(C)C)c1ccccc12
InChIInChI=1S/C25H27N3O5/c1-13(2)12-27-17-8-6-5-7-16(17)25(24(27)31)19-18(33-21(26)20(25)23(30)32-4)11-14(3)28(22(19)29)15-9-10-15/h5-8,11,13,15H,9-10,12,26H2,1-4H3
InChIKeySTWSZNKYQOGRDF-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.52
Rot. Bonds4

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

methyl 2'-amino-6'-cyclopropyl-7'-methyl-1-(2-methylpropyl)-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate (PubChem CID 18886336) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is methyl 2'-amino-6'-cyclopropyl-7'-methyl-1-(2-methylpropyl)-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate.

Molecular Properties

Compound Namemethyl 2'-amino-6'-cyclopropyl-7'-methyl-1-(2-methylpropyl)-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
PubChem CID18886336
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC Namemethyl 2'-amino-6'-cyclopropyl-7'-methyl-1-(2-methylpropyl)-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(C3CC3)c(=O)c2C12C(=O)N(CC(C)C)c1ccccc12
InChIInChI=1S/C25H27N3O5/c1-13(2)12-27-17-8-6-5-7-16(17)25(24(27)31)19-18(33-21(26)20(25)23(30)32-4)11-14(3)28(22(19)29)15-9-10-15/h5-8,11,13,15H,9-10,12,26H2,1-4H3
InChIKeySTWSZNKYQOGRDF-UHFFFAOYSA-N
XLogP2.52
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2'-amino-6'-cyclopropyl-7'-methyl-1-(2-methylpropyl)-2,5'-dioxospiro[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'-cyclopropyl-7'-methyl-1-(2-methylpropyl)-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
The IUPAC name of methyl 2'-amino-6'-cyclopropyl-7'-methyl-1-(2-methylpropyl)-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate (CID 18886336) is methyl 2'-amino-6'-cyclopropyl-7'-methyl-1-(2-methylpropyl)-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate.
What is the SMILES notation for methyl 2'-amino-6'-cyclopropyl-7'-methyl-1-(2-methylpropyl)-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
The canonical SMILES for methyl 2'-amino-6'-cyclopropyl-7'-methyl-1-(2-methylpropyl)-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate is COC(=O)C1=C(N)Oc2cc(C)n(C3CC3)c(=O)c2C12C(=O)N(CC(C)C)c1ccccc12.
What is the InChIKey of methyl 2'-amino-6'-cyclopropyl-7'-methyl-1-(2-methylpropyl)-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
The InChIKey is STWSZNKYQOGRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-13(2)12-27-17-8-6-5-7-16(17)25(24(27)31)19-18(33-21(26)20(25)23(30)32-4)11-14(3)28(22(19)29)15-9-10-15/h5-8,11,13,15H,9-10,12,26H2,1-4H3.
What are the key properties of methyl 2'-amino-6'-cyclopropyl-7'-methyl-1-(2-methylpropyl)-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
methyl 2'-amino-6'-cyclopropyl-7'-methyl-1-(2-methylpropyl)-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate has a molecular weight of 449.51 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2'-amino-6'-cyclopropyl-7'-methyl-1-(2-methylpropyl)-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate is sourced from PubChem (CID 18886336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).