2-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]imidazo[1,2-a]pyridine-3-carbonitrile

C18H14F2N4O — CID 133463226

IUPAC2-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1c(NC2CCOC2c2ccc(F)c(F)c2)nc2ccccn12
InChIInChI=1S/C18H14F2N4O/c19-12-5-4-11(9-13(12)20)17-14(6-8-25-17)22-18-15(10-21)24-7-2-1-3-16(24)23-18/h1-5,7,9,14,17,22H,6,8H2
InChIKeyJJQLONBEBARASF-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.43
Rot. Bonds3

About 2-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]imidazo[1,2-a]pyridine-3-carbonitrile

2-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 133463226) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is 2-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID133463226
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC Name2-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1c(NC2CCOC2c2ccc(F)c(F)c2)nc2ccccn12
InChIInChI=1S/C18H14F2N4O/c19-12-5-4-11(9-13(12)20)17-14(6-8-25-17)22-18-15(10-21)24-7-2-1-3-16(24)23-18/h1-5,7,9,14,17,22H,6,8H2
InChIKeyJJQLONBEBARASF-UHFFFAOYSA-N
XLogP3.43
TPSA62.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 2-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]imidazo[1,2-a]pyridine-3-carbonitrile (CID 133463226) is 2-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]imidazo[1,2-a]pyridine-3-carbonitrile is N#Cc1c(NC2CCOC2c2ccc(F)c(F)c2)nc2ccccn12.
What is the InChIKey of 2-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is JJQLONBEBARASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c19-12-5-4-11(9-13(12)20)17-14(6-8-25-17)22-18-15(10-21)24-7-2-1-3-16(24)23-18/h1-5,7,9,14,17,22H,6,8H2.
What are the key properties of 2-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]imidazo[1,2-a]pyridine-3-carbonitrile?
2-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 340.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 133463226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).