2-(5-bromofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile

C13H9BrN4O — CID 118902672

IUPAC2-(5-bromofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile
SMILESCNc1c(-c2ccc(Br)o2)nc2cc(C#N)ccn12
InChIInChI=1S/C13H9BrN4O/c1-16-13-12(9-2-3-10(14)19-9)17-11-6-8(7-15)4-5-18(11)13/h2-6,16H,1H3
InChIKeyAJYCMRRMPQDPSD-UHFFFAOYSA-N
MW317.15 g/mol
LogP3.27
Rot. Bonds2

About 2-(5-bromofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile

2-(5-bromofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile (PubChem CID 118902672) has the molecular formula C13H9BrN4O and a molecular weight of 317.15 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile
PubChem CID118902672
Molecular FormulaC13H9BrN4O
Molecular Weight317.15 g/mol
Exact Mass316.00
IUPAC Name2-(5-bromofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile
SMILESCNc1c(-c2ccc(Br)o2)nc2cc(C#N)ccn12
InChIInChI=1S/C13H9BrN4O/c1-16-13-12(9-2-3-10(14)19-9)17-11-6-8(7-15)4-5-18(11)13/h2-6,16H,1H3
InChIKeyAJYCMRRMPQDPSD-UHFFFAOYSA-N
XLogP3.27
TPSA66.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[7-cyano-3-(methylamino)imidazo[1,2-a]pyridin-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-5-carboxylic acid
CID 118902668
3-hydroxy-2-(5-methoxy-1-benzofuran-2-yl)imidazo[1,2-a]pyridine-7-carbonitrile
CID 131975057
2-[2-(5-bromofuran-2-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 13259035
3-(cyclohexylamino)-2-(2-methylphenyl)imidazo[1,2-a]pyridine-7-carbonitrile
CID 143687666
2-[5-[2-(dimethylamino)ethoxy]-1-benzofuran-2-yl]-3-(methylamino)imidazo[1,2-c]pyrimidine-7-carbonitrile
CID 170451678
6-(5-bromofuran-2-yl)pyridine-3-carbonitrile
CID 10911901
3-(2,2,3,3-tetramethylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393074
3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105392928
4-(5-bromofuran-2-yl)pyridine-2-carbonitrile
CID 90318369
6-(5-bromofuran-2-yl)pyrimidine-4-carbonitrile
CID 121206244
4-[7-cyano-3-[[(2S)-4-methylmorpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-3-ethyl-N-methylbenzamide
CID 144675161
3-(4,5-dibromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile
CID 105393103

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile?
The IUPAC name of 2-(5-bromofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile (CID 118902672) is 2-(5-bromofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile?
The canonical SMILES for 2-(5-bromofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile is CNc1c(-c2ccc(Br)o2)nc2cc(C#N)ccn12.
What is the InChIKey of 2-(5-bromofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile?
The InChIKey is AJYCMRRMPQDPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4O/c1-16-13-12(9-2-3-10(14)19-9)17-11-6-8(7-15)4-5-18(11)13/h2-6,16H,1H3.
What are the key properties of 2-(5-bromofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile?
2-(5-bromofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile has a molecular weight of 317.15 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-3-(methylamino)imidazo[1,2-a]pyridine-7-carbonitrile is sourced from PubChem (CID 118902672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).