1,2-dimethyl-4-(3-methyl-2H-indazol-5-yl)-6-(trifluoromethyl)-4H-pyridine-3,5-dicarbonitrile

C18H14F3N5 — CID 67085038

IUPAC1,2-dimethyl-4-(3-methyl-2H-indazol-5-yl)-6-(trifluoromethyl)-4H-pyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc3n[nH]c(C)c3c2)C(C#N)=C(C(F)(F)F)N1C
InChIInChI=1S/C18H14F3N5/c1-9-12-6-11(4-5-15(12)25-24-9)16-13(7-22)10(2)26(3)17(14(16)8-23)18(19,20)21/h4-6,16H,1-3H3,(H,24,25)
InChIKeyJVLIJULZEKHEPQ-UHFFFAOYSA-N
MW357.34 g/mol
LogP4.04
Rot. Bonds1

About 1,2-dimethyl-4-(3-methyl-2H-indazol-5-yl)-6-(trifluoromethyl)-4H-pyridine-3,5-dicarbonitrile

1,2-dimethyl-4-(3-methyl-2H-indazol-5-yl)-6-(trifluoromethyl)-4H-pyridine-3,5-dicarbonitrile (PubChem CID 67085038) has the molecular formula C18H14F3N5 and a molecular weight of 357.34 g/mol. Its IUPAC name is 1,2-dimethyl-4-(3-methyl-2H-indazol-5-yl)-6-(trifluoromethyl)-4H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name1,2-dimethyl-4-(3-methyl-2H-indazol-5-yl)-6-(trifluoromethyl)-4H-pyridine-3,5-dicarbonitrile
PubChem CID67085038
Molecular FormulaC18H14F3N5
Molecular Weight357.34 g/mol
Exact Mass357.12
IUPAC Name1,2-dimethyl-4-(3-methyl-2H-indazol-5-yl)-6-(trifluoromethyl)-4H-pyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2ccc3n[nH]c(C)c3c2)C(C#N)=C(C(F)(F)F)N1C
InChIInChI=1S/C18H14F3N5/c1-9-12-6-11(4-5-15(12)25-24-9)16-13(7-22)10(2)26(3)17(14(16)8-23)18(19,20)21/h4-6,16H,1-3H3,(H,24,25)
InChIKeyJVLIJULZEKHEPQ-UHFFFAOYSA-N
XLogP4.04
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(3-methyl-2H-indazol-5-yl)-6-(trifluoromethyl)-4H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 1,2-dimethyl-4-(3-methyl-2H-indazol-5-yl)-6-(trifluoromethyl)-4H-pyridine-3,5-dicarbonitrile (CID 67085038) is 1,2-dimethyl-4-(3-methyl-2H-indazol-5-yl)-6-(trifluoromethyl)-4H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 1,2-dimethyl-4-(3-methyl-2H-indazol-5-yl)-6-(trifluoromethyl)-4H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 1,2-dimethyl-4-(3-methyl-2H-indazol-5-yl)-6-(trifluoromethyl)-4H-pyridine-3,5-dicarbonitrile is CC1=C(C#N)C(c2ccc3n[nH]c(C)c3c2)C(C#N)=C(C(F)(F)F)N1C.
What is the InChIKey of 1,2-dimethyl-4-(3-methyl-2H-indazol-5-yl)-6-(trifluoromethyl)-4H-pyridine-3,5-dicarbonitrile?
The InChIKey is JVLIJULZEKHEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5/c1-9-12-6-11(4-5-15(12)25-24-9)16-13(7-22)10(2)26(3)17(14(16)8-23)18(19,20)21/h4-6,16H,1-3H3,(H,24,25).
What are the key properties of 1,2-dimethyl-4-(3-methyl-2H-indazol-5-yl)-6-(trifluoromethyl)-4H-pyridine-3,5-dicarbonitrile?
1,2-dimethyl-4-(3-methyl-2H-indazol-5-yl)-6-(trifluoromethyl)-4H-pyridine-3,5-dicarbonitrile has a molecular weight of 357.34 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(3-methyl-2H-indazol-5-yl)-6-(trifluoromethyl)-4H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 67085038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).