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

C22H16FN5 — CID 67237117

IUPAC2-(4-fluorophenyl)-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(c2ccc(F)cc2)N1
InChIInChI=1S/C22H16FN5/c1-12-18(10-24)21(15-5-8-20-17(9-15)13(2)27-28-20)19(11-25)22(26-12)14-3-6-16(23)7-4-14/h3-9,21,26H,1-2H3,(H,27,28)
InChIKeyOGJYONVWEXWJGR-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.43
Rot. Bonds2

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

2-(4-fluorophenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 67237117) has the molecular formula C22H16FN5 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID67237117
Molecular FormulaC22H16FN5
Molecular Weight369.40 g/mol
Exact Mass369.14
IUPAC Name2-(4-fluorophenyl)-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(c2ccc(F)cc2)N1
InChIInChI=1S/C22H16FN5/c1-12-18(10-24)21(15-5-8-20-17(9-15)13(2)27-28-20)19(11-25)22(26-12)14-3-6-16(23)7-4-14/h3-9,21,26H,1-2H3,(H,27,28)
InChIKeyOGJYONVWEXWJGR-UHFFFAOYSA-N
XLogP4.43
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2-(4-fluorophenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile (CID 67237117) is 2-(4-fluorophenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-(4-fluorophenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-(4-fluorophenyl)-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(c2ccc(F)cc2)N1.
What is the InChIKey of 2-(4-fluorophenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is OGJYONVWEXWJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5/c1-12-18(10-24)21(15-5-8-20-17(9-15)13(2)27-28-20)19(11-25)22(26-12)14-3-6-16(23)7-4-14/h3-9,21,26H,1-2H3,(H,27,28).
What are the key properties of 2-(4-fluorophenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
2-(4-fluorophenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 369.40 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-methyl-4-(3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 67237117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).