5-(4-hydroxy-8-methyl-2-oxochromen-3-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile

C24H16N4O3 — CID 135519395

IUPAC5-(4-hydroxy-8-methyl-2-oxochromen-3-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
SMILESCc1nc2c(C#N)c(-c3ccccc3)cc(-c3c(O)c4cccc(C)c4oc3=O)n2n1
InChIInChI=1S/C24H16N4O3/c1-13-7-6-10-16-21(29)20(24(30)31-22(13)16)19-11-17(15-8-4-3-5-9-15)18(12-25)23-26-14(2)27-28(19)23/h3-11,29H,1-2H3
InChIKeyMSMYNFLBINLWCF-UHFFFAOYSA-N
MW408.42 g/mol
LogP4.36
Rot. Bonds2

About 5-(4-hydroxy-8-methyl-2-oxochromen-3-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile

5-(4-hydroxy-8-methyl-2-oxochromen-3-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (PubChem CID 135519395) has the molecular formula C24H16N4O3 and a molecular weight of 408.42 g/mol. Its IUPAC name is 5-(4-hydroxy-8-methyl-2-oxochromen-3-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name5-(4-hydroxy-8-methyl-2-oxochromen-3-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
PubChem CID135519395
Molecular FormulaC24H16N4O3
Molecular Weight408.42 g/mol
Exact Mass408.12
IUPAC Name5-(4-hydroxy-8-methyl-2-oxochromen-3-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
SMILESCc1nc2c(C#N)c(-c3ccccc3)cc(-c3c(O)c4cccc(C)c4oc3=O)n2n1
InChIInChI=1S/C24H16N4O3/c1-13-7-6-10-16-21(29)20(24(30)31-22(13)16)19-11-17(15-8-4-3-5-9-15)18(12-25)23-26-14(2)27-28(19)23/h3-11,29H,1-2H3
InChIKeyMSMYNFLBINLWCF-UHFFFAOYSA-N
XLogP4.36
TPSA104.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-8-methyl-2-oxochromene-3-carbonitrile;hydrate
CID 159853913
7-(4-bromophenyl)-2,5-diphenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 141474015
2-amino-6-(4-hydroxy-2-oxochromen-3-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 164625158
4,8-dihydroxy-3-phenylchromen-2-one
CID 54721333
2-amino-6-(4-hydroxy-2-oxochromen-3-yl)-4-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]pyridine-3-carbonitrile
CID 139218406
11-methyl-5,6-dioxo-13-phenyl-1,2,4,7,8-pentazatricyclo[7.4.0.03,7]trideca-2,8,10,12-tetraene-10-carbonitrile
CID 172991944
2-methyl-6-phenylphenol
CID 12592481
3-(6,8-difluoro-7-hydroxy-4-methyl-2-oxochromen-3-yl)benzonitrile
CID 121307847
8-methyl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran
CID 130290646
6-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-2-methoxy-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 137178260
4-hydroxy-N-(4-hydroxy-8-methyl-2-oxochromen-3-yl)-2-methyl-1,1-dioxo-1λ6,2-benzothiazine-3-carboxamide
CID 154507393
2-methyl-4,6-diphenylpyridine-3-carbonitrile
CID 4135564

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-8-methyl-2-oxochromen-3-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The IUPAC name of 5-(4-hydroxy-8-methyl-2-oxochromen-3-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (CID 135519395) is 5-(4-hydroxy-8-methyl-2-oxochromen-3-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile.
What is the SMILES notation for 5-(4-hydroxy-8-methyl-2-oxochromen-3-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The canonical SMILES for 5-(4-hydroxy-8-methyl-2-oxochromen-3-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile is Cc1nc2c(C#N)c(-c3ccccc3)cc(-c3c(O)c4cccc(C)c4oc3=O)n2n1.
What is the InChIKey of 5-(4-hydroxy-8-methyl-2-oxochromen-3-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
The InChIKey is MSMYNFLBINLWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4O3/c1-13-7-6-10-16-21(29)20(24(30)31-22(13)16)19-11-17(15-8-4-3-5-9-15)18(12-25)23-26-14(2)27-28(19)23/h3-11,29H,1-2H3.
What are the key properties of 5-(4-hydroxy-8-methyl-2-oxochromen-3-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile?
5-(4-hydroxy-8-methyl-2-oxochromen-3-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile has a molecular weight of 408.42 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-8-methyl-2-oxochromen-3-yl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile is sourced from PubChem (CID 135519395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).