2'-amino-5'-hydroxy-2,6'-dioxo-8'-phenylspiro[1H-indole-3,4'-pyrano[3,2-g]chromene]-3'-carbonitrile

C26H15N3O5 — CID 155517462

IUPAC2'-amino-5'-hydroxy-2,6'-dioxo-8'-phenylspiro[1H-indole-3,4'-pyrano[3,2-g]chromene]-3'-carbonitrile
SMILESN#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2C12C(=O)Nc1ccccc12
InChIInChI=1S/C26H15N3O5/c27-12-15-24(28)34-20-11-19-21(17(30)10-18(33-19)13-6-2-1-3-7-13)23(31)22(20)26(15)14-8-4-5-9-16(14)29-25(26)32/h1-11,31H,28H2,(H,29,32)
InChIKeySTYUSGJMIMDCKM-UHFFFAOYSA-N
MW449.42 g/mol
LogP3.49
Rot. Bonds1

About 2'-amino-5'-hydroxy-2,6'-dioxo-8'-phenylspiro[1H-indole-3,4'-pyrano[3,2-g]chromene]-3'-carbonitrile

2'-amino-5'-hydroxy-2,6'-dioxo-8'-phenylspiro[1H-indole-3,4'-pyrano[3,2-g]chromene]-3'-carbonitrile (PubChem CID 155517462) has the molecular formula C26H15N3O5 and a molecular weight of 449.42 g/mol. Its IUPAC name is 2'-amino-5'-hydroxy-2,6'-dioxo-8'-phenylspiro[1H-indole-3,4'-pyrano[3,2-g]chromene]-3'-carbonitrile.

Molecular Properties

Compound Name2'-amino-5'-hydroxy-2,6'-dioxo-8'-phenylspiro[1H-indole-3,4'-pyrano[3,2-g]chromene]-3'-carbonitrile
PubChem CID155517462
Molecular FormulaC26H15N3O5
Molecular Weight449.42 g/mol
Exact Mass449.10
IUPAC Name2'-amino-5'-hydroxy-2,6'-dioxo-8'-phenylspiro[1H-indole-3,4'-pyrano[3,2-g]chromene]-3'-carbonitrile
SMILESN#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2C12C(=O)Nc1ccccc12
InChIInChI=1S/C26H15N3O5/c27-12-15-24(28)34-20-11-19-21(17(30)10-18(33-19)13-6-2-1-3-7-13)23(31)22(20)26(15)14-8-4-5-9-16(14)29-25(26)32/h1-11,31H,28H2,(H,29,32)
InChIKeySTYUSGJMIMDCKM-UHFFFAOYSA-N
XLogP3.49
TPSA138.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.42
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2'-amino-5'-hydroxy-2,6'-dioxo-8'-phenylspiro[1H-indole-3,4'-pyrano[3,2-g]chromene]-3'-carbonitrile?
The IUPAC name of 2'-amino-5'-hydroxy-2,6'-dioxo-8'-phenylspiro[1H-indole-3,4'-pyrano[3,2-g]chromene]-3'-carbonitrile (CID 155517462) is 2'-amino-5'-hydroxy-2,6'-dioxo-8'-phenylspiro[1H-indole-3,4'-pyrano[3,2-g]chromene]-3'-carbonitrile.
What is the SMILES notation for 2'-amino-5'-hydroxy-2,6'-dioxo-8'-phenylspiro[1H-indole-3,4'-pyrano[3,2-g]chromene]-3'-carbonitrile?
The canonical SMILES for 2'-amino-5'-hydroxy-2,6'-dioxo-8'-phenylspiro[1H-indole-3,4'-pyrano[3,2-g]chromene]-3'-carbonitrile is N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2C12C(=O)Nc1ccccc12.
What is the InChIKey of 2'-amino-5'-hydroxy-2,6'-dioxo-8'-phenylspiro[1H-indole-3,4'-pyrano[3,2-g]chromene]-3'-carbonitrile?
The InChIKey is STYUSGJMIMDCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15N3O5/c27-12-15-24(28)34-20-11-19-21(17(30)10-18(33-19)13-6-2-1-3-7-13)23(31)22(20)26(15)14-8-4-5-9-16(14)29-25(26)32/h1-11,31H,28H2,(H,29,32).
What are the key properties of 2'-amino-5'-hydroxy-2,6'-dioxo-8'-phenylspiro[1H-indole-3,4'-pyrano[3,2-g]chromene]-3'-carbonitrile?
2'-amino-5'-hydroxy-2,6'-dioxo-8'-phenylspiro[1H-indole-3,4'-pyrano[3,2-g]chromene]-3'-carbonitrile has a molecular weight of 449.42 g/mol, XLogP of 3.49, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-5'-hydroxy-2,6'-dioxo-8'-phenylspiro[1H-indole-3,4'-pyrano[3,2-g]chromene]-3'-carbonitrile is sourced from PubChem (CID 155517462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).