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

C17H12F3N5 — CID 51347140

IUPAC2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2cc3c(C)[nH]nc3cc2F)C(C#N)=C(C(F)F)N1
InChIInChI=1S/C17H12F3N5/c1-7-11(5-21)15(12(6-22)16(23-7)17(19)20)10-3-9-8(2)24-25-14(9)4-13(10)18/h3-4,15,17,23H,1-2H3,(H,24,25)
InChIKeyUYZFYANYSIVDGM-UHFFFAOYSA-N
MW343.31 g/mol
LogP3.54
Rot. Bonds2

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

2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 51347140) has the molecular formula C17H12F3N5 and a molecular weight of 343.31 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID51347140
Molecular FormulaC17H12F3N5
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC Name2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2cc3c(C)[nH]nc3cc2F)C(C#N)=C(C(F)F)N1
InChIInChI=1S/C17H12F3N5/c1-7-11(5-21)15(12(6-22)16(23-7)17(19)20)10-3-9-8(2)24-25-14(9)4-13(10)18/h3-4,15,17,23H,1-2H3,(H,24,25)
InChIKeyUYZFYANYSIVDGM-UHFFFAOYSA-N
XLogP3.54
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-methyl-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

Related Compounds

2,6-Dimethyl-4-(3-methyl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
CID 24959105
3-(2-((dimethylamino)methyl)cyclopropyl)-1H-indazole-5-carbonitrile
CID 9834659
rac-2-Methyl-4-(3-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarbonitrile
CID 51349315
1H-Indazole-3-carbonitrile
CID 437556
5-Methyl-3-phenyl-1H-indazole
CID 610412
2,6-Bis(difluoromethyl)-4-(6-fluoro-3-methyl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbo-nitrile
CID 51347143
rac-2-(Difluoromethyl)-4-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbo-nitrile
CID 67084928
rac-1,2-Dimethyl-4-(3-methyl-1H-indazol-5-yl)-6-(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarbonitrile
CID 67085038
2-(difluoromethyl)-6-methyl-4-(3-methyl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
CID 67085159
2,6-bis(difluoromethyl)-4-(1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
CID 67085250
rac-4-(1H-Indazol-5-yl)-2-methyl-6-(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarbonitrile
CID 67085298
rac-2-(1,1-Difluoropropyl)-6-methyl-4-(3-methyl-1H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbo-nitrile
CID 67085621

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile (CID 51347140) is 2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)C(c2cc3c(C)[nH]nc3cc2F)C(C#N)=C(C(F)F)N1.
What is the InChIKey of 2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is UYZFYANYSIVDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5/c1-7-11(5-21)15(12(6-22)16(23-7)17(19)20)10-3-9-8(2)24-25-14(9)4-13(10)18/h3-4,15,17,23H,1-2H3,(H,24,25).
What are the key properties of 2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile?
2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 343.31 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 51347140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).