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

C29H27N3O5 — CID 18886338

IUPACmethyl 2'-amino-6'-cyclopropyl-7'-methyl-1-[(2-methylphenyl)methyl]-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(Cc1ccccc1C)c1ccccc12
InChIInChI=1S/C29H27N3O5/c1-16-8-4-5-9-18(16)15-31-21-11-7-6-10-20(21)29(28(31)35)23-22(37-25(30)24(29)27(34)36-3)14-17(2)32(26(23)33)19-12-13-19/h4-11,14,19H,12-13,15,30H2,1-3H3
InChIKeyWSXRUWLZSZAUBK-UHFFFAOYSA-N
MW497.55 g/mol
LogP3.37
Rot. Bonds4

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

methyl 2'-amino-6'-cyclopropyl-7'-methyl-1-[(2-methylphenyl)methyl]-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate (PubChem CID 18886338) has the molecular formula C29H27N3O5 and a molecular weight of 497.55 g/mol. Its IUPAC name is methyl 2'-amino-6'-cyclopropyl-7'-methyl-1-[(2-methylphenyl)methyl]-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-methylphenyl)methyl]-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
PubChem CID18886338
Molecular FormulaC29H27N3O5
Molecular Weight497.55 g/mol
Exact Mass497.20
IUPAC Namemethyl 2'-amino-6'-cyclopropyl-7'-methyl-1-[(2-methylphenyl)methyl]-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(Cc1ccccc1C)c1ccccc12
InChIInChI=1S/C29H27N3O5/c1-16-8-4-5-9-18(16)15-31-21-11-7-6-10-20(21)29(28(31)35)23-22(37-25(30)24(29)27(34)36-3)14-17(2)32(26(23)33)19-12-13-19/h4-11,14,19H,12-13,15,30H2,1-3H3
InChIKeyWSXRUWLZSZAUBK-UHFFFAOYSA-N
XLogP3.37
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2'-amino-6'-cyclopropyl-7'-methyl-1-[(2-methylphenyl)methyl]-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-methylphenyl)methyl]-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-methylphenyl)methyl]-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate (CID 18886338) is methyl 2'-amino-6'-cyclopropyl-7'-methyl-1-[(2-methylphenyl)methyl]-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-methylphenyl)methyl]-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-methylphenyl)methyl]-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(Cc1ccccc1C)c1ccccc12.
What is the InChIKey of methyl 2'-amino-6'-cyclopropyl-7'-methyl-1-[(2-methylphenyl)methyl]-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
The InChIKey is WSXRUWLZSZAUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O5/c1-16-8-4-5-9-18(16)15-31-21-11-7-6-10-20(21)29(28(31)35)23-22(37-25(30)24(29)27(34)36-3)14-17(2)32(26(23)33)19-12-13-19/h4-11,14,19H,12-13,15,30H2,1-3H3.
What are the key properties of methyl 2'-amino-6'-cyclopropyl-7'-methyl-1-[(2-methylphenyl)methyl]-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
methyl 2'-amino-6'-cyclopropyl-7'-methyl-1-[(2-methylphenyl)methyl]-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate has a molecular weight of 497.55 g/mol, XLogP of 3.37, 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-methylphenyl)methyl]-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate is sourced from PubChem (CID 18886338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).