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

C16H10F3N5 — CID 67084928

IUPAC2-(difluoromethyl)-4-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2cc3cn[nH]c3cc2F)C(C#N)=C(C(F)F)N1
InChIInChI=1S/C16H10F3N5/c1-7-10(4-20)14(11(5-21)15(23-7)16(18)19)9-2-8-6-22-24-13(8)3-12(9)17/h2-3,6,14,16,23H,1H3,(H,22,24)
InChIKeyPNYGFZQQBKYRMZ-UHFFFAOYSA-N
MW329.29 g/mol
LogP3.23
Rot. Bonds2

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

2-(difluoromethyl)-4-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 67084928) has the molecular formula C16H10F3N5 and a molecular weight of 329.29 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-4-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID67084928
Molecular FormulaC16H10F3N5
Molecular Weight329.29 g/mol
Exact Mass329.09
IUPAC Name2-(difluoromethyl)-4-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)C(c2cc3cn[nH]c3cc2F)C(C#N)=C(C(F)F)N1
InChIInChI=1S/C16H10F3N5/c1-7-10(4-20)14(11(5-21)15(23-7)16(18)19)9-2-8-6-22-24-13(8)3-12(9)17/h2-3,6,14,16,23H,1H3,(H,22,24)
InChIKeyPNYGFZQQBKYRMZ-UHFFFAOYSA-N
XLogP3.23
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2-(difluoromethyl)-4-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile (CID 67084928) is 2-(difluoromethyl)-4-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-4-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-(difluoromethyl)-4-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)C(c2cc3cn[nH]c3cc2F)C(C#N)=C(C(F)F)N1.
What is the InChIKey of 2-(difluoromethyl)-4-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is PNYGFZQQBKYRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5/c1-7-10(4-20)14(11(5-21)15(23-7)16(18)19)9-2-8-6-22-24-13(8)3-12(9)17/h2-3,6,14,16,23H,1H3,(H,22,24).
What are the key properties of 2-(difluoromethyl)-4-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile?
2-(difluoromethyl)-4-(6-fluoro-1H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 329.29 g/mol, XLogP of 3.23, 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-1H-indazol-5-yl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 67084928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).