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

C22H17N5 — CID 141206258

IUPAC2,6-dimethyl-4-(3-phenyl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc3[nH]nc(-c4ccccc4)c3c2)C(C#N)=C(C)N1
InChIInChI=1S/C22H17N5/c1-13-18(11-23)21(19(12-24)14(2)25-13)16-8-9-20-17(10-16)22(27-26-20)15-6-4-3-5-7-15/h3-10,21,25H,1-2H3,(H,26,27)
InChIKeyXYGJMAUHWFHKSE-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.51
Rot. Bonds2

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

2,6-dimethyl-4-(3-phenyl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 141206258) has the molecular formula C22H17N5 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2,6-dimethyl-4-(3-phenyl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-(3-phenyl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID141206258
Molecular FormulaC22H17N5
Molecular Weight351.41 g/mol
Exact Mass351.15
IUPAC Name2,6-dimethyl-4-(3-phenyl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc3[nH]nc(-c4ccccc4)c3c2)C(C#N)=C(C)N1
InChIInChI=1S/C22H17N5/c1-13-18(11-23)21(19(12-24)14(2)25-13)16-8-9-20-17(10-16)22(27-26-20)15-6-4-3-5-7-15/h3-10,21,25H,1-2H3,(H,26,27)
InChIKeyXYGJMAUHWFHKSE-UHFFFAOYSA-N
XLogP4.51
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-4-(3-thiophen-2-yl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
CID 24957255
2,6-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile
CID 24957252
2,6-dimethyl-4-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile
CID 24961305
2,6-dimethyl-4-[3-(pyridin-3-ylmethylideneamino)-1H-indazol-5-yl]-1,4-dihydropyridine-3,5-dicarbonitrile
CID 69269015
2,6-dimethyl-4-(3-oxo-1,2-dihydroindazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
CID 24957253
4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 2818311
2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 21293070
ethyl 3-[[5-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-1H-indazol-3-yl]sulfamoyl]propanoate
CID 44547844
2-(3-aminophenyl)-4-(1H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 24957630
N-[5-(3-cyano-5-isocyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-1H-indazol-3-yl]propane-1-sulfonamide
CID 58407646
2-(4-methoxyphenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
CID 67237165
4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 4073554

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(3-phenyl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-dimethyl-4-(3-phenyl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile (CID 141206258) is 2,6-dimethyl-4-(3-phenyl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-(3-phenyl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-dimethyl-4-(3-phenyl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)C(c2ccc3[nH]nc(-c4ccccc4)c3c2)C(C#N)=C(C)N1.
What is the InChIKey of 2,6-dimethyl-4-(3-phenyl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is XYGJMAUHWFHKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5/c1-13-18(11-23)21(19(12-24)14(2)25-13)16-8-9-20-17(10-16)22(27-26-20)15-6-4-3-5-7-15/h3-10,21,25H,1-2H3,(H,26,27).
What are the key properties of 2,6-dimethyl-4-(3-phenyl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
2,6-dimethyl-4-(3-phenyl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 351.41 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(3-phenyl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 141206258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).