4-bromo-5-(cyclopentylamino)furo[2,3-c]pyridine-2-carbonitrile

C13H12BrN3O — CID 172599300

IUPAC4-bromo-5-(cyclopentylamino)furo[2,3-c]pyridine-2-carbonitrile
SMILESN#Cc1cc2c(Br)c(NC3CCCC3)ncc2o1
InChIInChI=1S/C13H12BrN3O/c14-12-10-5-9(6-15)18-11(10)7-16-13(12)17-8-3-1-2-4-8/h5,7-8H,1-4H2,(H,16,17)
InChIKeyVYWKKQXZNKDURG-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.82
Rot. Bonds2

About 4-bromo-5-(cyclopentylamino)furo[2,3-c]pyridine-2-carbonitrile

4-bromo-5-(cyclopentylamino)furo[2,3-c]pyridine-2-carbonitrile (PubChem CID 172599300) has the molecular formula C13H12BrN3O and a molecular weight of 306.16 g/mol. Its IUPAC name is 4-bromo-5-(cyclopentylamino)furo[2,3-c]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-bromo-5-(cyclopentylamino)furo[2,3-c]pyridine-2-carbonitrile
PubChem CID172599300
Molecular FormulaC13H12BrN3O
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name4-bromo-5-(cyclopentylamino)furo[2,3-c]pyridine-2-carbonitrile
SMILESN#Cc1cc2c(Br)c(NC3CCCC3)ncc2o1
InChIInChI=1S/C13H12BrN3O/c14-12-10-5-9(6-15)18-11(10)7-16-13(12)17-8-3-1-2-4-8/h5,7-8H,1-4H2,(H,16,17)
InChIKeyVYWKKQXZNKDURG-UHFFFAOYSA-N
XLogP3.82
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-[[4-(3,4-difluoropyrrolidin-1-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599696
2-azaspiro[3.3]heptan-6-ol;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile
CID 172599132
4-bromo-5-[[4-[[(3S)-oxolan-3-yl]amino]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598200
(Z)-3-amino-N'-methylbut-2-enimidamide;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile
CID 172598526
4-bromo-5-[[4-(3-hydroxyazetidin-1-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599197
4-bromo-5-[[4-(4-hydroxypiperidin-1-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598482
4-bromo-5-[(4-thiomorpholin-4-ylcyclohexyl)amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598703
4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile;3-(difluoromethoxy)pyrrolidine
CID 172598111
4-bromo-5-[[1-(oxetan-3-yl)azetidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598885
4-bromo-5-[[4-(2-oxo-8-azabicyclo[3.2.1]octan-8-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599542
4-bromo-5-[[1-(oxetan-3-yl)pyrrolidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598454
(2R)-1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]pyrrolidine-2-carboxamide
CID 172598787

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(cyclopentylamino)furo[2,3-c]pyridine-2-carbonitrile?
The IUPAC name of 4-bromo-5-(cyclopentylamino)furo[2,3-c]pyridine-2-carbonitrile (CID 172599300) is 4-bromo-5-(cyclopentylamino)furo[2,3-c]pyridine-2-carbonitrile.
What is the SMILES notation for 4-bromo-5-(cyclopentylamino)furo[2,3-c]pyridine-2-carbonitrile?
The canonical SMILES for 4-bromo-5-(cyclopentylamino)furo[2,3-c]pyridine-2-carbonitrile is N#Cc1cc2c(Br)c(NC3CCCC3)ncc2o1.
What is the InChIKey of 4-bromo-5-(cyclopentylamino)furo[2,3-c]pyridine-2-carbonitrile?
The InChIKey is VYWKKQXZNKDURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O/c14-12-10-5-9(6-15)18-11(10)7-16-13(12)17-8-3-1-2-4-8/h5,7-8H,1-4H2,(H,16,17).
What are the key properties of 4-bromo-5-(cyclopentylamino)furo[2,3-c]pyridine-2-carbonitrile?
4-bromo-5-(cyclopentylamino)furo[2,3-c]pyridine-2-carbonitrile has a molecular weight of 306.16 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(cyclopentylamino)furo[2,3-c]pyridine-2-carbonitrile is sourced from PubChem (CID 172599300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).