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

C17H13F2N5 — CID 67085159

IUPAC2-(difluoromethyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc3n[nH]c(C)c3c2)C(C#N)=C(C(F)F)N1
InChIInChI=1S/C17H13F2N5/c1-8-12(6-20)15(13(7-21)16(22-8)17(18)19)10-3-4-14-11(5-10)9(2)23-24-14/h3-5,15,17,22H,1-2H3,(H,23,24)
InChIKeyARZKBMOZBFWWFP-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.40
Rot. Bonds2

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

2-(difluoromethyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 67085159) has the molecular formula C17H13F2N5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID67085159
Molecular FormulaC17H13F2N5
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name2-(difluoromethyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc3n[nH]c(C)c3c2)C(C#N)=C(C(F)F)N1
InChIInChI=1S/C17H13F2N5/c1-8-12(6-20)15(13(7-21)16(22-8)17(18)19)10-3-4-14-11(5-10)9(2)23-24-14/h3-5,15,17,22H,1-2H3,(H,23,24)
InChIKeyARZKBMOZBFWWFP-UHFFFAOYSA-N
XLogP3.40
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2-(difluoromethyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile (CID 67085159) is 2-(difluoromethyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-(difluoromethyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)C(c2ccc3n[nH]c(C)c3c2)C(C#N)=C(C(F)F)N1.
What is the InChIKey of 2-(difluoromethyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is ARZKBMOZBFWWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N5/c1-8-12(6-20)15(13(7-21)16(22-8)17(18)19)10-3-4-14-11(5-10)9(2)23-24-14/h3-5,15,17,22H,1-2H3,(H,23,24).
What are the key properties of 2-(difluoromethyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
2-(difluoromethyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 325.32 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 67085159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).