3-(5-fluoro-3,3,4,4-tetramethylisoquinolin-1-yl)imidazo[1,2-a]pyridine-8-carbonitrile

C21H19FN4 — CID 135306228

IUPAC3-(5-fluoro-3,3,4,4-tetramethylisoquinolin-1-yl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESCC1(C)N=C(c2cnc3c(C#N)cccn23)c2cccc(F)c2C1(C)C
InChIInChI=1S/C21H19FN4/c1-20(2)17-14(8-5-9-15(17)22)18(25-21(20,3)4)16-12-24-19-13(11-23)7-6-10-26(16)19/h5-10,12H,1-4H3
InChIKeyAUSLPDZPDSUBIX-UHFFFAOYSA-N
MW346.41 g/mol
LogP4.25
Rot. Bonds1

About 3-(5-fluoro-3,3,4,4-tetramethylisoquinolin-1-yl)imidazo[1,2-a]pyridine-8-carbonitrile

3-(5-fluoro-3,3,4,4-tetramethylisoquinolin-1-yl)imidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 135306228) has the molecular formula C21H19FN4 and a molecular weight of 346.41 g/mol. Its IUPAC name is 3-(5-fluoro-3,3,4,4-tetramethylisoquinolin-1-yl)imidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name3-(5-fluoro-3,3,4,4-tetramethylisoquinolin-1-yl)imidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID135306228
Molecular FormulaC21H19FN4
Molecular Weight346.41 g/mol
Exact Mass346.16
IUPAC Name3-(5-fluoro-3,3,4,4-tetramethylisoquinolin-1-yl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESCC1(C)N=C(c2cnc3c(C#N)cccn23)c2cccc(F)c2C1(C)C
InChIInChI=1S/C21H19FN4/c1-20(2)17-14(8-5-9-15(17)22)18(25-21(20,3)4)16-12-24-19-13(11-23)7-6-10-26(16)19/h5-10,12H,1-4H3
InChIKeyAUSLPDZPDSUBIX-UHFFFAOYSA-N
XLogP4.25
TPSA53.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline
CID 135306253
3,3,4,4-tetramethyl-1-(8-methylimidazo[1,2-a]pyridin-3-yl)isoquinoline
CID 135306256
7-fluoro-1-imidazo[1,2-a]pyridin-3-yl-3,3,4,4-tetramethylisoquinoline
CID 135306264
5-fluoro-3,3,4,4-tetramethyl-1-(6-methylpyrrolo[1,2-b]pyridazin-3-yl)isoquinoline
CID 118302964
5-fluoro-3,3,4,4-tetramethyl-1-(8-methylquinolin-3-yl)isoquinoline
CID 23160741
5-fluoro-1-(7-methoxypyrrolo[1,2-b]pyridazin-3-yl)-3,3,4,4-tetramethylisoquinoline
CID 118302977
5-fluoro-3,3,4,4-tetramethyl-1-pyrrolo[1,2-b]pyridazin-3-ylisoquinoline;trifluoromethanesulfonic acid
CID 159589570
8-fluoro-3-(5-fluoro-3,3,4,4-tetramethylisoquinolin-1-yl)cinnoline
CID 135152450
1-(7-chloro-2-methylindazol-3-yl)-5-fluoro-3,3,4,4-tetramethylisoquinoline
CID 138617268
5-fluoro-1-(6-fluoro-2-methylindazol-3-yl)-3,3,4,4-tetramethylisoquinoline
CID 138617281
3-(5-fluoro-3,3,4,4-tetramethylisoquinolin-1-yl)-7-methyl-2,1-benzothiazole
CID 138617290
4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylsulfanylpyrimidine-5-carbonitrile
CID 67313929

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3,3,4,4-tetramethylisoquinolin-1-yl)imidazo[1,2-a]pyridine-8-carbonitrile?
The IUPAC name of 3-(5-fluoro-3,3,4,4-tetramethylisoquinolin-1-yl)imidazo[1,2-a]pyridine-8-carbonitrile (CID 135306228) is 3-(5-fluoro-3,3,4,4-tetramethylisoquinolin-1-yl)imidazo[1,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 3-(5-fluoro-3,3,4,4-tetramethylisoquinolin-1-yl)imidazo[1,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 3-(5-fluoro-3,3,4,4-tetramethylisoquinolin-1-yl)imidazo[1,2-a]pyridine-8-carbonitrile is CC1(C)N=C(c2cnc3c(C#N)cccn23)c2cccc(F)c2C1(C)C.
What is the InChIKey of 3-(5-fluoro-3,3,4,4-tetramethylisoquinolin-1-yl)imidazo[1,2-a]pyridine-8-carbonitrile?
The InChIKey is AUSLPDZPDSUBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4/c1-20(2)17-14(8-5-9-15(17)22)18(25-21(20,3)4)16-12-24-19-13(11-23)7-6-10-26(16)19/h5-10,12H,1-4H3.
What are the key properties of 3-(5-fluoro-3,3,4,4-tetramethylisoquinolin-1-yl)imidazo[1,2-a]pyridine-8-carbonitrile?
3-(5-fluoro-3,3,4,4-tetramethylisoquinolin-1-yl)imidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 346.41 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3,3,4,4-tetramethylisoquinolin-1-yl)imidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 135306228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).