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

C27H24N4O5 — CID 18886549

IUPACmethyl 2'-amino-7'-methyl-2,5'-dioxo-1-prop-2-enyl-6'-(pyridin-4-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
SMILESC=CCN1C(=O)C2(C(C(=O)OC)=C(N)Oc3cc(C)n(Cc4ccncc4)c(=O)c32)c2ccccc21
InChIInChI=1S/C27H24N4O5/c1-4-13-30-19-8-6-5-7-18(19)27(26(30)34)21-20(36-23(28)22(27)25(33)35-3)14-16(2)31(24(21)32)15-17-9-11-29-12-10-17/h4-12,14H,1,13,15,28H2,2-3H3
InChIKeyAEOPCCOBBKGTEJ-UHFFFAOYSA-N
MW484.51 g/mol
LogP2.15
Rot. Bonds5

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

methyl 2'-amino-7'-methyl-2,5'-dioxo-1-prop-2-enyl-6'-(pyridin-4-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate (PubChem CID 18886549) has the molecular formula C27H24N4O5 and a molecular weight of 484.51 g/mol. Its IUPAC name is methyl 2'-amino-7'-methyl-2,5'-dioxo-1-prop-2-enyl-6'-(pyridin-4-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate.

Molecular Properties

Compound Namemethyl 2'-amino-7'-methyl-2,5'-dioxo-1-prop-2-enyl-6'-(pyridin-4-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
PubChem CID18886549
Molecular FormulaC27H24N4O5
Molecular Weight484.51 g/mol
Exact Mass484.17
IUPAC Namemethyl 2'-amino-7'-methyl-2,5'-dioxo-1-prop-2-enyl-6'-(pyridin-4-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
SMILESC=CCN1C(=O)C2(C(C(=O)OC)=C(N)Oc3cc(C)n(Cc4ccncc4)c(=O)c32)c2ccccc21
InChIInChI=1S/C27H24N4O5/c1-4-13-30-19-8-6-5-7-18(19)27(26(30)34)21-20(36-23(28)22(27)25(33)35-3)14-16(2)31(24(21)32)15-17-9-11-29-12-10-17/h4-12,14H,1,13,15,28H2,2-3H3
InChIKeyAEOPCCOBBKGTEJ-UHFFFAOYSA-N
XLogP2.15
TPSA116.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 2'-amino-7'-methyl-2,5'-dioxo-1-prop-2-enyl-6'-(pyridin-4-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-7'-methyl-2,5'-dioxo-1-prop-2-enyl-6'-(pyridin-4-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
The IUPAC name of methyl 2'-amino-7'-methyl-2,5'-dioxo-1-prop-2-enyl-6'-(pyridin-4-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate (CID 18886549) is methyl 2'-amino-7'-methyl-2,5'-dioxo-1-prop-2-enyl-6'-(pyridin-4-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate.
What is the SMILES notation for methyl 2'-amino-7'-methyl-2,5'-dioxo-1-prop-2-enyl-6'-(pyridin-4-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
The canonical SMILES for methyl 2'-amino-7'-methyl-2,5'-dioxo-1-prop-2-enyl-6'-(pyridin-4-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate is C=CCN1C(=O)C2(C(C(=O)OC)=C(N)Oc3cc(C)n(Cc4ccncc4)c(=O)c32)c2ccccc21.
What is the InChIKey of methyl 2'-amino-7'-methyl-2,5'-dioxo-1-prop-2-enyl-6'-(pyridin-4-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
The InChIKey is AEOPCCOBBKGTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O5/c1-4-13-30-19-8-6-5-7-18(19)27(26(30)34)21-20(36-23(28)22(27)25(33)35-3)14-16(2)31(24(21)32)15-17-9-11-29-12-10-17/h4-12,14H,1,13,15,28H2,2-3H3.
What are the key properties of methyl 2'-amino-7'-methyl-2,5'-dioxo-1-prop-2-enyl-6'-(pyridin-4-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate?
methyl 2'-amino-7'-methyl-2,5'-dioxo-1-prop-2-enyl-6'-(pyridin-4-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate has a molecular weight of 484.51 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2'-amino-7'-methyl-2,5'-dioxo-1-prop-2-enyl-6'-(pyridin-4-ylmethyl)spiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate is sourced from PubChem (CID 18886549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).