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

C17H10F5N5 — CID 51347143

IUPAC2,6-bis(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCc1[nH]nc2cc(F)c(C3C(C#N)=C(C(F)F)NC(C(F)F)=C3C#N)cc12
InChIInChI=1S/C17H10F5N5/c1-6-7-2-8(11(18)3-12(7)27-26-6)13-9(4-23)14(16(19)20)25-15(17(21)22)10(13)5-24/h2-3,13,16-17,25H,1H3,(H,26,27)
InChIKeyWOWAGKXGSRDYJG-UHFFFAOYSA-N
MW379.29 g/mol
LogP3.78
Rot. Bonds3

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

2,6-bis(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 51347143) has the molecular formula C17H10F5N5 and a molecular weight of 379.29 g/mol. Its IUPAC name is 2,6-bis(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-bis(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID51347143
Molecular FormulaC17H10F5N5
Molecular Weight379.29 g/mol
Exact Mass379.09
IUPAC Name2,6-bis(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCc1[nH]nc2cc(F)c(C3C(C#N)=C(C(F)F)NC(C(F)F)=C3C#N)cc12
InChIInChI=1S/C17H10F5N5/c1-6-7-2-8(11(18)3-12(7)27-26-6)13-9(4-23)14(16(19)20)25-15(17(21)22)10(13)5-24/h2-3,13,16-17,25H,1H3,(H,26,27)
InChIKeyWOWAGKXGSRDYJG-UHFFFAOYSA-N
XLogP3.78
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-bis(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile (CID 51347143) is 2,6-bis(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-bis(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-bis(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile is Cc1[nH]nc2cc(F)c(C3C(C#N)=C(C(F)F)NC(C(F)F)=C3C#N)cc12.
What is the InChIKey of 2,6-bis(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is WOWAGKXGSRDYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F5N5/c1-6-7-2-8(11(18)3-12(7)27-26-6)13-9(4-23)14(16(19)20)25-15(17(21)22)10(13)5-24/h2-3,13,16-17,25H,1H3,(H,26,27).
What are the key properties of 2,6-bis(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile?
2,6-bis(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 379.29 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(difluoromethyl)-4-(6-fluoro-3-methyl-2H-indazol-5-yl)-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 51347143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).