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

C19H17F2N5 — CID 67085621

IUPAC2-(1,1-difluoropropyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCCC(F)(F)C1=C(C#N)C(c2ccc3n[nH]c(C)c3c2)C(C#N)=C(C)N1
InChIInChI=1S/C19H17F2N5/c1-4-19(20,21)18-15(9-23)17(14(8-22)10(2)24-18)12-5-6-16-13(7-12)11(3)25-26-16/h5-7,17,24H,4H2,1-3H3,(H,25,26)
InChIKeyHXEASNSLBMDITE-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.18
Rot. Bonds3

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

2-(1,1-difluoropropyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 67085621) has the molecular formula C19H17F2N5 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-(1,1-difluoropropyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-(1,1-difluoropropyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID67085621
Molecular FormulaC19H17F2N5
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name2-(1,1-difluoropropyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCCC(F)(F)C1=C(C#N)C(c2ccc3n[nH]c(C)c3c2)C(C#N)=C(C)N1
InChIInChI=1S/C19H17F2N5/c1-4-19(20,21)18-15(9-23)17(14(8-22)10(2)24-18)12-5-6-16-13(7-12)11(3)25-26-16/h5-7,17,24H,4H2,1-3H3,(H,25,26)
InChIKeyHXEASNSLBMDITE-UHFFFAOYSA-N
XLogP4.18
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoropropyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2-(1,1-difluoropropyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile (CID 67085621) is 2-(1,1-difluoropropyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-(1,1-difluoropropyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-(1,1-difluoropropyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile is CCC(F)(F)C1=C(C#N)C(c2ccc3n[nH]c(C)c3c2)C(C#N)=C(C)N1.
What is the InChIKey of 2-(1,1-difluoropropyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is HXEASNSLBMDITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5/c1-4-19(20,21)18-15(9-23)17(14(8-22)10(2)24-18)12-5-6-16-13(7-12)11(3)25-26-16/h5-7,17,24H,4H2,1-3H3,(H,25,26).
What are the key properties of 2-(1,1-difluoropropyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
2-(1,1-difluoropropyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 353.38 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoropropyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 67085621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).