methyl 2'-amino-1-(cyclopropylmethyl)-7'-methyl-2,5'-dioxo-6'-(pyridin-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate

C28H26N4O5 — CID 18886554

IUPACmethyl 2'-amino-1-(cyclopropylmethyl)-7'-methyl-2,5'-dioxo-6'-(pyridin-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccn3)c(=O)c2C12C(=O)N(CC1CC1)c1ccccc12
InChIInChI=1S/C28H26N4O5/c1-16-13-21-22(25(33)31(16)15-18-7-5-6-12-30-18)28(23(24(29)37-21)26(34)36-2)19-8-3-4-9-20(19)32(27(28)35)14-17-10-11-17/h3-9,12-13,17H,10-11,14-15,29H2,1-2H3
InChIKeyJXDRGFKKXXPMKO-UHFFFAOYSA-N
MW498.54 g/mol
LogP2.38
Rot. Bonds5

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

methyl 2'-amino-1-(cyclopropylmethyl)-7'-methyl-2,5'-dioxo-6'-(pyridin-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate (PubChem CID 18886554) has the molecular formula C28H26N4O5 and a molecular weight of 498.54 g/mol. Its IUPAC name is methyl 2'-amino-1-(cyclopropylmethyl)-7'-methyl-2,5'-dioxo-6'-(pyridin-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate.

Molecular Properties

Compound Namemethyl 2'-amino-1-(cyclopropylmethyl)-7'-methyl-2,5'-dioxo-6'-(pyridin-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
PubChem CID18886554
Molecular FormulaC28H26N4O5
Molecular Weight498.54 g/mol
Exact Mass498.19
IUPAC Namemethyl 2'-amino-1-(cyclopropylmethyl)-7'-methyl-2,5'-dioxo-6'-(pyridin-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
SMILESCOC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccn3)c(=O)c2C12C(=O)N(CC1CC1)c1ccccc12
InChIInChI=1S/C28H26N4O5/c1-16-13-21-22(25(33)31(16)15-18-7-5-6-12-30-18)28(23(24(29)37-21)26(34)36-2)19-8-3-4-9-20(19)32(27(28)35)14-17-10-11-17/h3-9,12-13,17H,10-11,14-15,29H2,1-2H3
InChIKeyJXDRGFKKXXPMKO-UHFFFAOYSA-N
XLogP2.38
TPSA116.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2'-amino-1-(cyclopropylmethyl)-7'-methyl-2,5'-dioxo-6'-(pyridin-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 methyl 2'-amino-1-(cyclopropylmethyl)-7'-methyl-2,5'-dioxo-6'-(pyridin-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
The IUPAC name of methyl 2'-amino-1-(cyclopropylmethyl)-7'-methyl-2,5'-dioxo-6'-(pyridin-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate (CID 18886554) is methyl 2'-amino-1-(cyclopropylmethyl)-7'-methyl-2,5'-dioxo-6'-(pyridin-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate.
What is the SMILES notation for methyl 2'-amino-1-(cyclopropylmethyl)-7'-methyl-2,5'-dioxo-6'-(pyridin-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
The canonical SMILES for methyl 2'-amino-1-(cyclopropylmethyl)-7'-methyl-2,5'-dioxo-6'-(pyridin-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate is COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccn3)c(=O)c2C12C(=O)N(CC1CC1)c1ccccc12.
What is the InChIKey of methyl 2'-amino-1-(cyclopropylmethyl)-7'-methyl-2,5'-dioxo-6'-(pyridin-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
The InChIKey is JXDRGFKKXXPMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O5/c1-16-13-21-22(25(33)31(16)15-18-7-5-6-12-30-18)28(23(24(29)37-21)26(34)36-2)19-8-3-4-9-20(19)32(27(28)35)14-17-10-11-17/h3-9,12-13,17H,10-11,14-15,29H2,1-2H3.
What are the key properties of methyl 2'-amino-1-(cyclopropylmethyl)-7'-methyl-2,5'-dioxo-6'-(pyridin-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
methyl 2'-amino-1-(cyclopropylmethyl)-7'-methyl-2,5'-dioxo-6'-(pyridin-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate has a molecular weight of 498.54 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2'-amino-1-(cyclopropylmethyl)-7'-methyl-2,5'-dioxo-6'-(pyridin-2-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate is sourced from PubChem (CID 18886554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).