4-bromo-5-[[4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile

C22H26BrN5O2 — CID 172598474

IUPAC4-bromo-5-[[4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
SMILESN#Cc1cc2c(Br)c(NC3CCC(N4CCC5(CCNC5=O)CC4)CC3)ncc2o1
InChIInChI=1S/C22H26BrN5O2/c23-19-17-11-16(12-24)30-18(17)13-26-20(19)27-14-1-3-15(4-2-14)28-9-6-22(7-10-28)5-8-25-21(22)29/h11,13-15H,1-10H2,(H,25,29)(H,26,27)
InChIKeyBWCCJFOJJNWLJS-UHFFFAOYSA-N
MW472.39 g/mol
LogP3.79
Rot. Bonds3

About 4-bromo-5-[[4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile

4-bromo-5-[[4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile (PubChem CID 172598474) has the molecular formula C22H26BrN5O2 and a molecular weight of 472.39 g/mol. Its IUPAC name is 4-bromo-5-[[4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-bromo-5-[[4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
PubChem CID172598474
Molecular FormulaC22H26BrN5O2
Molecular Weight472.39 g/mol
Exact Mass471.13
IUPAC Name4-bromo-5-[[4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
SMILESN#Cc1cc2c(Br)c(NC3CCC(N4CCC5(CCNC5=O)CC4)CC3)ncc2o1
InChIInChI=1S/C22H26BrN5O2/c23-19-17-11-16(12-24)30-18(17)13-26-20(19)27-14-1-3-15(4-2-14)28-9-6-22(7-10-28)5-8-25-21(22)29/h11,13-15H,1-10H2,(H,25,29)(H,26,27)
InChIKeyBWCCJFOJJNWLJS-UHFFFAOYSA-N
XLogP3.79
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.39
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-bromo-5-[[4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[[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-(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-[[4-(4-oxo-3,3a,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599466
4-bromo-5-(cyclopentylamino)furo[2,3-c]pyridine-2-carbonitrile
CID 172599300
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-[[4-(2-oxo-3,8-diazabicyclo[3.2.1]octan-8-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598425
1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]piperidine-3-carboxamide
CID 172598249
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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[[4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile?
The IUPAC name of 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) is 4-bromo-5-[[4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile.
What is the SMILES notation for 4-bromo-5-[[4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile?
The canonical SMILES for 4-bromo-5-[[4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile is N#Cc1cc2c(Br)c(NC3CCC(N4CCC5(CCNC5=O)CC4)CC3)ncc2o1.
What is the InChIKey of 4-bromo-5-[[4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile?
The InChIKey is BWCCJFOJJNWLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN5O2/c23-19-17-11-16(12-24)30-18(17)13-26-20(19)27-14-1-3-15(4-2-14)28-9-6-22(7-10-28)5-8-25-21(22)29/h11,13-15H,1-10H2,(H,25,29)(H,26,27).
What are the key properties of 4-bromo-5-[[4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile?
4-bromo-5-[[4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile has a molecular weight of 472.39 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[[4-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile is sourced from PubChem (CID 172598474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).