2'-amino-5-(4-methoxyphenyl)-4,7',7'-trimethyl-2,5'-dioxospiro[1H-pyrrole-3,4'-6,8-dihydrochromene]-3'-carbonitrile

C23H23N3O4 — CID 137346306

IUPAC2'-amino-5-(4-methoxyphenyl)-4,7',7'-trimethyl-2,5'-dioxospiro[1H-pyrrole-3,4'-6,8-dihydrochromene]-3'-carbonitrile
SMILESCOc1ccc(C2=C(C)C3(C(=O)N2)C(C#N)=C(N)OC2=C3C(=O)CC(C)(C)C2)cc1
InChIInChI=1S/C23H23N3O4/c1-12-19(13-5-7-14(29-4)8-6-13)26-21(28)23(12)15(11-24)20(25)30-17-10-22(2,3)9-16(27)18(17)23/h5-8H,9-10,25H2,1-4H3,(H,26,28)
InChIKeyWJXFDOLYNKCTSD-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.91
Rot. Bonds2

About 2'-amino-5-(4-methoxyphenyl)-4,7',7'-trimethyl-2,5'-dioxospiro[1H-pyrrole-3,4'-6,8-dihydrochromene]-3'-carbonitrile

2'-amino-5-(4-methoxyphenyl)-4,7',7'-trimethyl-2,5'-dioxospiro[1H-pyrrole-3,4'-6,8-dihydrochromene]-3'-carbonitrile (PubChem CID 137346306) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 2'-amino-5-(4-methoxyphenyl)-4,7',7'-trimethyl-2,5'-dioxospiro[1H-pyrrole-3,4'-6,8-dihydrochromene]-3'-carbonitrile.

Molecular Properties

Compound Name2'-amino-5-(4-methoxyphenyl)-4,7',7'-trimethyl-2,5'-dioxospiro[1H-pyrrole-3,4'-6,8-dihydrochromene]-3'-carbonitrile
PubChem CID137346306
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name2'-amino-5-(4-methoxyphenyl)-4,7',7'-trimethyl-2,5'-dioxospiro[1H-pyrrole-3,4'-6,8-dihydrochromene]-3'-carbonitrile
SMILESCOc1ccc(C2=C(C)C3(C(=O)N2)C(C#N)=C(N)OC2=C3C(=O)CC(C)(C)C2)cc1
InChIInChI=1S/C23H23N3O4/c1-12-19(13-5-7-14(29-4)8-6-13)26-21(28)23(12)15(11-24)20(25)30-17-10-22(2,3)9-16(27)18(17)23/h5-8H,9-10,25H2,1-4H3,(H,26,28)
InChIKeyWJXFDOLYNKCTSD-UHFFFAOYSA-N
XLogP2.91
TPSA114.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2'-amino-5-(4-methoxyphenyl)-4,7',7'-trimethyl-2,5'-dioxospiro[1H-pyrrole-3,4'-6,8-dihydrochromene]-3'-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-2'-amino-4-bromo-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile
CID 1099087
2'-amino-5-iodo-7',7'-dimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile
CID 71553109
2-amino-1'-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-3-carbonitrile
CID 90671102
2-[(4R)-2-amino-3-cyano-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-1'-yl]acetic acid
CID 27308423
(4S)-4-acetyl-2-amino-4,7,7-trimethyl-5-oxo-6,8-dihydrochromene-3-carbonitrile
CID 95987277
(4R)-2-amino-1'-[(4-fluorophenyl)methyl]-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-3-carbonitrile
CID 27308428
2'-amino-6,7',7',9,11,11-hexamethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-6,8-dihydrochromene]-3'-carbonitrile
CID 2968782
2-amino-7,7-dimethyl-1'-(morpholin-4-ylmethyl)-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-3-carbonitrile
CID 660924
methyl 2-[(4R)-2-amino-3-cyano-7,7-dimethyl-5-oxo-4-(trifluoromethyl)-6,8-dihydrochromen-4-yl]acetate
CID 102098582
2-amino-1'-benzyl-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,4'-piperidine]-3-carbonitrile
CID 655559
2-amino-8'-bromo-7,7-dimethyl-5,12'-dioxospiro[6,8-dihydrochromene-4,6'-indolo[2,1-b]quinazoline]-3-carbonitrile
CID 132508898
2-amino-1'-benzyl-7,7-dimethyl-5-oxospiro[6,8-dihydrochromene-4,4'-piperidin-1-ium]-3-carbonitrile
CID 7205661

Frequently Asked Questions

What is the IUPAC name of 2'-amino-5-(4-methoxyphenyl)-4,7',7'-trimethyl-2,5'-dioxospiro[1H-pyrrole-3,4'-6,8-dihydrochromene]-3'-carbonitrile?
The IUPAC name of 2'-amino-5-(4-methoxyphenyl)-4,7',7'-trimethyl-2,5'-dioxospiro[1H-pyrrole-3,4'-6,8-dihydrochromene]-3'-carbonitrile (CID 137346306) is 2'-amino-5-(4-methoxyphenyl)-4,7',7'-trimethyl-2,5'-dioxospiro[1H-pyrrole-3,4'-6,8-dihydrochromene]-3'-carbonitrile.
What is the SMILES notation for 2'-amino-5-(4-methoxyphenyl)-4,7',7'-trimethyl-2,5'-dioxospiro[1H-pyrrole-3,4'-6,8-dihydrochromene]-3'-carbonitrile?
The canonical SMILES for 2'-amino-5-(4-methoxyphenyl)-4,7',7'-trimethyl-2,5'-dioxospiro[1H-pyrrole-3,4'-6,8-dihydrochromene]-3'-carbonitrile is COc1ccc(C2=C(C)C3(C(=O)N2)C(C#N)=C(N)OC2=C3C(=O)CC(C)(C)C2)cc1.
What is the InChIKey of 2'-amino-5-(4-methoxyphenyl)-4,7',7'-trimethyl-2,5'-dioxospiro[1H-pyrrole-3,4'-6,8-dihydrochromene]-3'-carbonitrile?
The InChIKey is WJXFDOLYNKCTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-12-19(13-5-7-14(29-4)8-6-13)26-21(28)23(12)15(11-24)20(25)30-17-10-22(2,3)9-16(27)18(17)23/h5-8H,9-10,25H2,1-4H3,(H,26,28).
What are the key properties of 2'-amino-5-(4-methoxyphenyl)-4,7',7'-trimethyl-2,5'-dioxospiro[1H-pyrrole-3,4'-6,8-dihydrochromene]-3'-carbonitrile?
2'-amino-5-(4-methoxyphenyl)-4,7',7'-trimethyl-2,5'-dioxospiro[1H-pyrrole-3,4'-6,8-dihydrochromene]-3'-carbonitrile has a molecular weight of 405.45 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-5-(4-methoxyphenyl)-4,7',7'-trimethyl-2,5'-dioxospiro[1H-pyrrole-3,4'-6,8-dihydrochromene]-3'-carbonitrile is sourced from PubChem (CID 137346306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).