4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile;3-(difluoromethoxy)pyrrolidine

C19H23BrF2N4O2 — CID 172598111

IUPAC4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile;3-(difluoromethoxy)pyrrolidine
SMILESFC(F)OC1CCNC1.N#Cc1cc2c(Br)c(NC3CCCCC3)ncc2o1
InChIInChI=1S/C14H14BrN3O.C5H9F2NO/c15-13-11-6-10(7-16)19-12(11)8-17-14(13)18-9-4-2-1-3-5-9;6-5(7)9-4-1-2-8-3-4/h6,8-9H,1-5H2,(H,17,18);4-5,8H,1-3H2
InChIKeyWSAGPGMBBUMGDN-UHFFFAOYSA-N
MW457.32 g/mol
LogP4.79
Rot. Bonds4

About 4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile;3-(difluoromethoxy)pyrrolidine

4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile;3-(difluoromethoxy)pyrrolidine (PubChem CID 172598111) has the molecular formula C19H23BrF2N4O2 and a molecular weight of 457.32 g/mol. Its IUPAC name is 4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile;3-(difluoromethoxy)pyrrolidine.

Molecular Properties

Compound Name4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile;3-(difluoromethoxy)pyrrolidine
PubChem CID172598111
Molecular FormulaC19H23BrF2N4O2
Molecular Weight457.32 g/mol
Exact Mass456.10
IUPAC Name4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile;3-(difluoromethoxy)pyrrolidine
SMILESFC(F)OC1CCNC1.N#Cc1cc2c(Br)c(NC3CCCCC3)ncc2o1
InChIInChI=1S/C14H14BrN3O.C5H9F2NO/c15-13-11-6-10(7-16)19-12(11)8-17-14(13)18-9-4-2-1-3-5-9;6-5(7)9-4-1-2-8-3-4/h6,8-9H,1-5H2,(H,17,18);4-5,8H,1-3H2
InChIKeyWSAGPGMBBUMGDN-UHFFFAOYSA-N
XLogP4.79
TPSA83.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.32
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-5-(cyclopentylamino)furo[2,3-c]pyridine-2-carbonitrile
CID 172599300
2-azaspiro[3.3]heptan-6-ol;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile
CID 172599132
4-bromo-5-[[4-(3,4-difluoropyrrolidin-1-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599696
(Z)-3-amino-N'-methylbut-2-enimidamide;4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile
CID 172598526
4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile;2-methylsulfinyl-2,8-diazaspiro[4.5]decane
CID 172599609
4-bromo-5-[[4-(2-oxo-3,8-diazabicyclo[3.2.1]octan-8-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598425
4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile;ethene;N-fluoro-N-methyl-2-[(3E)-penta-1,3-dien-3-yl]oxyethanamine
CID 172599684
4-bromo-5-[[4-[[(3S)-oxolan-3-yl]amino]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598200
4-bromo-5-[[4-(4,7-diazatricyclo[3.2.1.01,3]octan-4-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598549
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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile;3-(difluoromethoxy)pyrrolidine?
The IUPAC name of 4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile;3-(difluoromethoxy)pyrrolidine (CID 172598111) is 4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile;3-(difluoromethoxy)pyrrolidine.
What is the SMILES notation for 4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile;3-(difluoromethoxy)pyrrolidine?
The canonical SMILES for 4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile;3-(difluoromethoxy)pyrrolidine is FC(F)OC1CCNC1.N#Cc1cc2c(Br)c(NC3CCCCC3)ncc2o1.
What is the InChIKey of 4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile;3-(difluoromethoxy)pyrrolidine?
The InChIKey is WSAGPGMBBUMGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O.C5H9F2NO/c15-13-11-6-10(7-16)19-12(11)8-17-14(13)18-9-4-2-1-3-5-9;6-5(7)9-4-1-2-8-3-4/h6,8-9H,1-5H2,(H,17,18);4-5,8H,1-3H2.
What are the key properties of 4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile;3-(difluoromethoxy)pyrrolidine?
4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile;3-(difluoromethoxy)pyrrolidine has a molecular weight of 457.32 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(cyclohexylamino)furo[2,3-c]pyridine-2-carbonitrile;3-(difluoromethoxy)pyrrolidine is sourced from PubChem (CID 172598111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).