4-bromo-5-[[4-(1-oxa-7-azaspiro[3.5]nonan-7-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile

C21H25BrN4O2 — CID 172598395

IUPAC4-bromo-5-[[4-(1-oxa-7-azaspiro[3.5]nonan-7-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
SMILESN#Cc1cc2c(Br)c(NC3CCC(N4CCC5(CCO5)CC4)CC3)ncc2o1
InChIInChI=1S/C21H25BrN4O2/c22-19-17-11-16(12-23)28-18(17)13-24-20(19)25-14-1-3-15(4-2-14)26-8-5-21(6-9-26)7-10-27-21/h11,13-15H,1-10H2,(H,24,25)
InChIKeyLYBWBDPLXAFTIT-UHFFFAOYSA-N
MW445.36 g/mol
LogP4.44
Rot. Bonds3

About 4-bromo-5-[[4-(1-oxa-7-azaspiro[3.5]nonan-7-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile

4-bromo-5-[[4-(1-oxa-7-azaspiro[3.5]nonan-7-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile (PubChem CID 172598395) has the molecular formula C21H25BrN4O2 and a molecular weight of 445.36 g/mol. Its IUPAC name is 4-bromo-5-[[4-(1-oxa-7-azaspiro[3.5]nonan-7-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-bromo-5-[[4-(1-oxa-7-azaspiro[3.5]nonan-7-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
PubChem CID172598395
Molecular FormulaC21H25BrN4O2
Molecular Weight445.36 g/mol
Exact Mass444.12
IUPAC Name4-bromo-5-[[4-(1-oxa-7-azaspiro[3.5]nonan-7-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
SMILESN#Cc1cc2c(Br)c(NC3CCC(N4CCC5(CCO5)CC4)CC3)ncc2o1
InChIInChI=1S/C21H25BrN4O2/c22-19-17-11-16(12-23)28-18(17)13-24-20(19)25-14-1-3-15(4-2-14)26-8-5-21(6-9-26)7-10-27-21/h11,13-15H,1-10H2,(H,24,25)
InChIKeyLYBWBDPLXAFTIT-UHFFFAOYSA-N
XLogP4.44
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.36
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-bromo-5-[[4-(1-oxa-7-azaspiro[3.5]nonan-7-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile with MolForge

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Related Compounds

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-[[4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598474
4-bromo-5-[[4-(3-hydroxyazetidin-1-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599197
4-bromo-5-[[4-(3,4-difluoropyrrolidin-1-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599696
4-bromo-5-(cyclopentylamino)furo[2,3-c]pyridine-2-carbonitrile
CID 172599300
4-bromo-5-[[4-[3-(1-hydroxyethyl)azetidin-1-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598302
4-bromo-5-[[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598447
4-bromo-5-[[1-(oxetan-3-yl)pyrrolidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598454
1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]piperidine-3-carboxamide
CID 172598249
4-bromo-5-[[1-(oxetan-3-yl)azetidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598885
4-bromo-5-[[4-[(2R)-2-methyl-6-methylidenemorpholin-4-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599556

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[[4-(1-oxa-7-azaspiro[3.5]nonan-7-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile?
The IUPAC name of 4-bromo-5-[[4-(1-oxa-7-azaspiro[3.5]nonan-7-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile (CID 172598395) is 4-bromo-5-[[4-(1-oxa-7-azaspiro[3.5]nonan-7-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile.
What is the SMILES notation for 4-bromo-5-[[4-(1-oxa-7-azaspiro[3.5]nonan-7-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile?
The canonical SMILES for 4-bromo-5-[[4-(1-oxa-7-azaspiro[3.5]nonan-7-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile is N#Cc1cc2c(Br)c(NC3CCC(N4CCC5(CCO5)CC4)CC3)ncc2o1.
What is the InChIKey of 4-bromo-5-[[4-(1-oxa-7-azaspiro[3.5]nonan-7-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile?
The InChIKey is LYBWBDPLXAFTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN4O2/c22-19-17-11-16(12-23)28-18(17)13-24-20(19)25-14-1-3-15(4-2-14)26-8-5-21(6-9-26)7-10-27-21/h11,13-15H,1-10H2,(H,24,25).
What are the key properties of 4-bromo-5-[[4-(1-oxa-7-azaspiro[3.5]nonan-7-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile?
4-bromo-5-[[4-(1-oxa-7-azaspiro[3.5]nonan-7-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile has a molecular weight of 445.36 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[[4-(1-oxa-7-azaspiro[3.5]nonan-7-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile is sourced from PubChem (CID 172598395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).