(8'Z)-2'-amino-8'-[(3,4-dimethylphenyl)methylidene]-6'-methyl-2-oxospiro[1H-indole-3,4'-5,7-dihydropyrano[3,2-c]pyridine]-3'-carbonitrile

C26H24N4O2 — CID 171349021

About (8'Z)-2'-amino-8'-[(3,4-dimethylphenyl)methylidene]-6'-methyl-2-oxospiro[1H-indole-3,4'-5,7-dihydropyrano[3,2-c]pyridine]-3'-carbonitrile

(8'Z)-2'-amino-8'-[(3,4-dimethylphenyl)methylidene]-6'-methyl-2-oxospiro[1H-indole-3,4'-5,7-dihydropyrano[3,2-c]pyridine]-3'-carbonitrile (PubChem CID 171349021) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is (8'Z)-2'-amino-8'-[(3,4-dimethylphenyl)methylidene]-6'-methyl-2-oxospiro[1H-indole-3,4'-5,7-dihydropyrano[3,2-c]pyridine]-3'-carbonitrile.

Molecular Properties

• Compound Name: (8'Z)-2'-amino-8'-[(3,4-dimethylphenyl)methylidene]-6'-methyl-2-oxospiro[1H-indole-3,4'-5,7-dihydropyrano[3,2-c]pyridine]-3'-carbonitrile
• PubChem CID: 171349021
• Molecular Formula: C26H24N4O2
• Molecular Weight: 424.50 g/mol
• Exact Mass: 424.19
• IUPAC Name: (8'Z)-2'-amino-8'-[(3,4-dimethylphenyl)methylidene]-6'-methyl-2-oxospiro[1H-indole-3,4'-5,7-dihydropyrano[3,2-c]pyridine]-3'-carbonitrile
• SMILES: Cc1ccc(/C=C2/CN(C)CC3=C2OC(N)=C(C#N)C32C(=O)Nc3ccccc32)cc1C
• InChI: InChI=1S/C26H24N4O2/c1-15-8-9-17(10-16(15)2)11-18-13-30(3)14-21-23(18)32-24(28)20(12-27)26(21)19-6-4-5-7-22(19)29-25(26)31/h4-11H,13-14,28H2,1-3H3,(H,29,31)/b18-11-
• InChIKey: REEFIPZFNSLOKJ-WQRHYEAKSA-N
• XLogP: 3.50
• TPSA: 91.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.50
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (8'Z)-2'-amino-8'-[(3,4-dimethylphenyl)methylidene]-6'-methyl-2-oxospiro[1H-indole-3,4'-5,7-dihydropyrano[3,2-c]pyridine]-3'-carbonitrile?

The IUPAC name of (8'Z)-2'-amino-8'-[(3,4-dimethylphenyl)methylidene]-6'-methyl-2-oxospiro[1H-indole-3,4'-5,7-dihydropyrano[3,2-c]pyridine]-3'-carbonitrile (CID 171349021) is (8'Z)-2'-amino-8'-[(3,4-dimethylphenyl)methylidene]-6'-methyl-2-oxospiro[1H-indole-3,4'-5,7-dihydropyrano[3,2-c]pyridine]-3'-carbonitrile.

What is the SMILES notation for (8'Z)-2'-amino-8'-[(3,4-dimethylphenyl)methylidene]-6'-methyl-2-oxospiro[1H-indole-3,4'-5,7-dihydropyrano[3,2-c]pyridine]-3'-carbonitrile?

The canonical SMILES for (8'Z)-2'-amino-8'-[(3,4-dimethylphenyl)methylidene]-6'-methyl-2-oxospiro[1H-indole-3,4'-5,7-dihydropyrano[3,2-c]pyridine]-3'-carbonitrile is Cc1ccc(/C=C2/CN(C)CC3=C2OC(N)=C(C#N)C32C(=O)Nc3ccccc32)cc1C.

What is the InChIKey of (8'Z)-2'-amino-8'-[(3,4-dimethylphenyl)methylidene]-6'-methyl-2-oxospiro[1H-indole-3,4'-5,7-dihydropyrano[3,2-c]pyridine]-3'-carbonitrile?

The InChIKey is REEFIPZFNSLOKJ-WQRHYEAKSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-15-8-9-17(10-16(15)2)11-18-13-30(3)14-21-23(18)32-24(28)20(12-27)26(21)19-6-4-5-7-22(19)29-25(26)31/h4-11H,13-14,28H2,1-3H3,(H,29,31)/b18-11-.

What are the key properties of (8'Z)-2'-amino-8'-[(3,4-dimethylphenyl)methylidene]-6'-methyl-2-oxospiro[1H-indole-3,4'-5,7-dihydropyrano[3,2-c]pyridine]-3'-carbonitrile?

(8'Z)-2'-amino-8'-[(3,4-dimethylphenyl)methylidene]-6'-methyl-2-oxospiro[1H-indole-3,4'-5,7-dihydropyrano[3,2-c]pyridine]-3'-carbonitrile has a molecular weight of 424.50 g/mol, XLogP of 3.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (8'Z)-2'-amino-8'-[(3,4-dimethylphenyl)methylidene]-6'-methyl-2-oxospiro[1H-indole-3,4'-5,7-dihydropyrano[3,2-c]pyridine]-3'-carbonitrile is sourced from PubChem (CID 171349021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).