2,6-dimethyl-4-(3-thiophen-2-yl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile

C20H15N5S — CID 24957255

IUPAC2,6-dimethyl-4-(3-thiophen-2-yl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc3[nH]nc(-c4cccs4)c3c2)C(C#N)=C(C)N1
InChIInChI=1S/C20H15N5S/c1-11-15(9-21)19(16(10-22)12(2)23-11)13-5-6-17-14(8-13)20(25-24-17)18-4-3-7-26-18/h3-8,19,23H,1-2H3,(H,24,25)
InChIKeyCAFZHLKJWCGZEG-UHFFFAOYSA-N
MW357.44 g/mol
LogP4.57
Rot. Bonds2

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

2,6-dimethyl-4-(3-thiophen-2-yl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 24957255) has the molecular formula C20H15N5S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2,6-dimethyl-4-(3-thiophen-2-yl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-(3-thiophen-2-yl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID24957255
Molecular FormulaC20H15N5S
Molecular Weight357.44 g/mol
Exact Mass357.10
IUPAC Name2,6-dimethyl-4-(3-thiophen-2-yl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc3[nH]nc(-c4cccs4)c3c2)C(C#N)=C(C)N1
InChIInChI=1S/C20H15N5S/c1-11-15(9-21)19(16(10-22)12(2)23-11)13-5-6-17-14(8-13)20(25-24-17)18-4-3-7-26-18/h3-8,19,23H,1-2H3,(H,24,25)
InChIKeyCAFZHLKJWCGZEG-UHFFFAOYSA-N
XLogP4.57
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,6-dimethyl-4-(3-thiophen-2-yl-1H-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 2,6-dimethyl-4-(3-thiophen-2-yl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-dimethyl-4-(3-thiophen-2-yl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile (CID 24957255) is 2,6-dimethyl-4-(3-thiophen-2-yl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-(3-thiophen-2-yl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-dimethyl-4-(3-thiophen-2-yl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)C(c2ccc3[nH]nc(-c4cccs4)c3c2)C(C#N)=C(C)N1.
What is the InChIKey of 2,6-dimethyl-4-(3-thiophen-2-yl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is CAFZHLKJWCGZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5S/c1-11-15(9-21)19(16(10-22)12(2)23-11)13-5-6-17-14(8-13)20(25-24-17)18-4-3-7-26-18/h3-8,19,23H,1-2H3,(H,24,25).
What are the key properties of 2,6-dimethyl-4-(3-thiophen-2-yl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
2,6-dimethyl-4-(3-thiophen-2-yl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 357.44 g/mol, XLogP of 4.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(3-thiophen-2-yl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 24957255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).