4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylsulfanylpyrimidine-5-carbonitrile

C14H9F2N5S — CID 67313929

IUPAC4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1ncc(C#N)c(-c2cnc3c(C(F)F)cccn23)n1
InChIInChI=1S/C14H9F2N5S/c1-22-14-19-6-8(5-17)11(20-14)10-7-18-13-9(12(15)16)3-2-4-21(10)13/h2-4,6-7,12H,1H3
InChIKeyZLSBPUGLKLGYDX-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.32
Rot. Bonds3

About 4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylsulfanylpyrimidine-5-carbonitrile

4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylsulfanylpyrimidine-5-carbonitrile (PubChem CID 67313929) has the molecular formula C14H9F2N5S and a molecular weight of 317.32 g/mol. Its IUPAC name is 4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylsulfanylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylsulfanylpyrimidine-5-carbonitrile
PubChem CID67313929
Molecular FormulaC14H9F2N5S
Molecular Weight317.32 g/mol
Exact Mass317.05
IUPAC Name4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylsulfanylpyrimidine-5-carbonitrile
SMILESCSc1ncc(C#N)c(-c2cnc3c(C(F)F)cccn23)n1
InChIInChI=1S/C14H9F2N5S/c1-22-14-19-6-8(5-17)11(20-14)10-7-18-13-9(12(15)16)3-2-4-21(10)13/h2-4,6-7,12H,1H3
InChIKeyZLSBPUGLKLGYDX-UHFFFAOYSA-N
XLogP3.32
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylsulfanylpyrimidine-5-carbonitrile?
The IUPAC name of 4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylsulfanylpyrimidine-5-carbonitrile (CID 67313929) is 4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylsulfanylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylsulfanylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylsulfanylpyrimidine-5-carbonitrile is CSc1ncc(C#N)c(-c2cnc3c(C(F)F)cccn23)n1.
What is the InChIKey of 4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylsulfanylpyrimidine-5-carbonitrile?
The InChIKey is ZLSBPUGLKLGYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N5S/c1-22-14-19-6-8(5-17)11(20-14)10-7-18-13-9(12(15)16)3-2-4-21(10)13/h2-4,6-7,12H,1H3.
What are the key properties of 4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylsulfanylpyrimidine-5-carbonitrile?
4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylsulfanylpyrimidine-5-carbonitrile has a molecular weight of 317.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl]-2-methylsulfanylpyrimidine-5-carbonitrile is sourced from PubChem (CID 67313929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).