2-(4-methoxyphenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile

C23H19N5O — CID 67237165

IUPAC2-(4-methoxyphenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCOc1ccc(C2=C(C#N)C(c3ccc4n[nH]c(C)c4c3)C(C#N)=C(C)N2)cc1
InChIInChI=1S/C23H19N5O/c1-13-19(11-24)22(16-6-9-21-18(10-16)14(2)27-28-21)20(12-25)23(26-13)15-4-7-17(29-3)8-5-15/h4-10,22,26H,1-3H3,(H,27,28)
InChIKeyQSLUUGZBWALOKN-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.30
Rot. Bonds3

About 2-(4-methoxyphenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile

2-(4-methoxyphenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 67237165) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID67237165
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name2-(4-methoxyphenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCOc1ccc(C2=C(C#N)C(c3ccc4n[nH]c(C)c4c3)C(C#N)=C(C)N2)cc1
InChIInChI=1S/C23H19N5O/c1-13-19(11-24)22(16-6-9-21-18(10-16)14(2)27-28-21)20(12-25)23(26-13)15-4-7-17(29-3)8-5-15/h4-10,22,26H,1-3H3,(H,27,28)
InChIKeyQSLUUGZBWALOKN-UHFFFAOYSA-N
XLogP4.30
TPSA97.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxyphenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2-(4-methoxyphenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile (CID 67237165) is 2-(4-methoxyphenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-(4-methoxyphenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile is COc1ccc(C2=C(C#N)C(c3ccc4n[nH]c(C)c4c3)C(C#N)=C(C)N2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is QSLUUGZBWALOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-13-19(11-24)22(16-6-9-21-18(10-16)14(2)27-28-21)20(12-25)23(26-13)15-4-7-17(29-3)8-5-15/h4-10,22,26H,1-3H3,(H,27,28).
What are the key properties of 2-(4-methoxyphenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
2-(4-methoxyphenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 381.44 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 67237165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).