5-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)pyridine-3-carbonitrile

C24H19N5O2 — CID 46178646

IUPAC5-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)pyridine-3-carbonitrile
SMILESCN1C(=O)C2(CC(c3ccccc3)Oc3ccc(-c4cncc(C#N)c4)cc32)N=C1N
InChIInChI=1S/C24H19N5O2/c1-29-22(30)24(28-23(29)26)11-21(16-5-3-2-4-6-16)31-20-8-7-17(10-19(20)24)18-9-15(12-25)13-27-14-18/h2-10,13-14,21H,11H2,1H3,(H2,26,28)
InChIKeyDFBJFLGYLLZZBT-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.13
Rot. Bonds2

About 5-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)pyridine-3-carbonitrile

5-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)pyridine-3-carbonitrile (PubChem CID 46178646) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 5-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)pyridine-3-carbonitrile
PubChem CID46178646
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name5-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)pyridine-3-carbonitrile
SMILESCN1C(=O)C2(CC(c3ccccc3)Oc3ccc(-c4cncc(C#N)c4)cc32)N=C1N
InChIInChI=1S/C24H19N5O2/c1-29-22(30)24(28-23(29)26)11-21(16-5-3-2-4-6-16)31-20-8-7-17(10-19(20)24)18-9-15(12-25)13-27-14-18/h2-10,13-14,21H,11H2,1H3,(H2,26,28)
InChIKeyDFBJFLGYLLZZBT-UHFFFAOYSA-N
XLogP3.13
TPSA104.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)pyridine-3-carbonitrile (CID 46178646) is 5-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)pyridine-3-carbonitrile is CN1C(=O)C2(CC(c3ccccc3)Oc3ccc(-c4cncc(C#N)c4)cc32)N=C1N.
What is the InChIKey of 5-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)pyridine-3-carbonitrile?
The InChIKey is DFBJFLGYLLZZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-29-22(30)24(28-23(29)26)11-21(16-5-3-2-4-6-16)31-20-8-7-17(10-19(20)24)18-9-15(12-25)13-27-14-18/h2-10,13-14,21H,11H2,1H3,(H2,26,28).
What are the key properties of 5-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)pyridine-3-carbonitrile?
5-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)pyridine-3-carbonitrile has a molecular weight of 409.45 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2'-amino-1'-methyl-5'-oxo-2-phenylspiro[2,3-dihydrochromene-4,4'-imidazole]-6-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 46178646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).