4-bromo-5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile

C14H13BrF2N4O — CID 172598792

IUPAC4-bromo-5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile
SMILESCN1CCC(Nc2ncc3oc(C#N)cc3c2Br)C(F)(F)C1
InChIInChI=1S/C14H13BrF2N4O/c1-21-3-2-11(14(16,17)7-21)20-13-12(15)9-4-8(5-18)22-10(9)6-19-13/h4,6,11H,2-3,7H2,1H3,(H,19,20)
InChIKeyARQGGWULWZTYEK-UHFFFAOYSA-N
MW371.19 g/mol
LogP3.21
Rot. Bonds2

About 4-bromo-5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile

4-bromo-5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile (PubChem CID 172598792) has the molecular formula C14H13BrF2N4O and a molecular weight of 371.19 g/mol. Its IUPAC name is 4-bromo-5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-bromo-5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile
PubChem CID172598792
Molecular FormulaC14H13BrF2N4O
Molecular Weight371.19 g/mol
Exact Mass370.02
IUPAC Name4-bromo-5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile
SMILESCN1CCC(Nc2ncc3oc(C#N)cc3c2Br)C(F)(F)C1
InChIInChI=1S/C14H13BrF2N4O/c1-21-3-2-11(14(16,17)7-21)20-13-12(15)9-4-8(5-18)22-10(9)6-19-13/h4,6,11H,2-3,7H2,1H3,(H,19,20)
InChIKeyARQGGWULWZTYEK-UHFFFAOYSA-N
XLogP3.21
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.19
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile with MolForge

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Related Compounds

4-bromo-5-[(5-fluoro-1,3,3-trimethylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599336
4-bromo-5-[(1,3-dimethylpyrrolidin-3-yl)amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598413
4-bromo-5-(cyclopentylamino)furo[2,3-c]pyridine-2-carbonitrile
CID 172599300
4-bromo-5-[[(1S,4S)-4-(dimethylamino)-2,2-dimethylcyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599339
4-bromo-5-[[4-(3,4-difluoropyrrolidin-1-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599696
4-bromo-5-[[4-(4-hydroxypiperidin-1-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598482
4-bromo-5-[[1-(oxetan-3-yl)pyrrolidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598454
4-bromo-5-[(4-thiomorpholin-4-ylcyclohexyl)amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598703
4-bromo-5-[[4-(1-oxa-7-azaspiro[3.5]nonan-7-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598395
4-bromo-5-[[1-(oxetan-3-yl)azetidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598885
4-bromo-5-[[4-(3-hydroxyazetidin-1-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599197
4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile;2-methylsulfinyl-2,8-diazaspiro[4.5]decane
CID 172599609

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile?
The IUPAC name of 4-bromo-5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile (CID 172598792) is 4-bromo-5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile.
What is the SMILES notation for 4-bromo-5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile?
The canonical SMILES for 4-bromo-5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile is CN1CCC(Nc2ncc3oc(C#N)cc3c2Br)C(F)(F)C1.
What is the InChIKey of 4-bromo-5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile?
The InChIKey is ARQGGWULWZTYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N4O/c1-21-3-2-11(14(16,17)7-21)20-13-12(15)9-4-8(5-18)22-10(9)6-19-13/h4,6,11H,2-3,7H2,1H3,(H,19,20).
What are the key properties of 4-bromo-5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile?
4-bromo-5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile has a molecular weight of 371.19 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]furo[2,3-c]pyridine-2-carbonitrile is sourced from PubChem (CID 172598792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).