2-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]-N-methyl-2-azabicyclo[2.2.1]heptane-5-carboxamide

C22H26BrN5O2 — CID 172599292

IUPAC2-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]-N-methyl-2-azabicyclo[2.2.1]heptane-5-carboxamide
SMILESCNC(=O)C1CC2CC1CN2C1CCC(Nc2ncc3oc(C#N)cc3c2Br)CC1
InChIInChI=1S/C22H26BrN5O2/c1-25-22(29)17-7-15-6-12(17)11-28(15)14-4-2-13(3-5-14)27-21-20(23)18-8-16(9-24)30-19(18)10-26-21/h8,10,12-15,17H,2-7,11H2,1H3,(H,25,29)(H,26,27)
InChIKeySXIPHOUMEATXAK-UHFFFAOYSA-N
MW472.39 g/mol
LogP3.64
Rot. Bonds4

About 2-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]-N-methyl-2-azabicyclo[2.2.1]heptane-5-carboxamide

2-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]-N-methyl-2-azabicyclo[2.2.1]heptane-5-carboxamide (PubChem CID 172599292) has the molecular formula C22H26BrN5O2 and a molecular weight of 472.39 g/mol. Its IUPAC name is 2-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]-N-methyl-2-azabicyclo[2.2.1]heptane-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]-N-methyl-2-azabicyclo[2.2.1]heptane-5-carboxamide
PubChem CID172599292
Molecular FormulaC22H26BrN5O2
Molecular Weight472.39 g/mol
Exact Mass471.13
IUPAC Name2-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]-N-methyl-2-azabicyclo[2.2.1]heptane-5-carboxamide
SMILESCNC(=O)C1CC2CC1CN2C1CCC(Nc2ncc3oc(C#N)cc3c2Br)CC1
InChIInChI=1S/C22H26BrN5O2/c1-25-22(29)17-7-15-6-12(17)11-28(15)14-4-2-13(3-5-14)27-21-20(23)18-8-16(9-24)30-19(18)10-26-21/h8,10,12-15,17H,2-7,11H2,1H3,(H,25,29)(H,26,27)
InChIKeySXIPHOUMEATXAK-UHFFFAOYSA-N
XLogP3.64
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.39
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]-N-methyl-2-azabicyclo[2.2.1]heptane-5-carboxamide with MolForge

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Related Compounds

(1S,4S)-5-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]-2,5-diazabicyclo[2.2.1]heptane-2-sulfinic acid
CID 172599599
(2R)-1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]pyrrolidine-2-carboxamide
CID 172598787
4-bromo-5-[[4-(3-hydroxyazetidin-1-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599197
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-[(1R,5S)-3-hydroxy-2-methyl-8-azabicyclo[3.2.1]octan-8-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598409
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-(4-hydroxypiperidin-1-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598482
4-bromo-5-[[4-[2-(2-hydroxy-2-methylpropyl)azetidin-1-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599379
1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]piperidine-3-carboxamide
CID 172598249
N-[1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]azetidin-3-yl]-N-ethylacetamide;ethane
CID 172598133
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]-N-methyl-2-azabicyclo[2.2.1]heptane-5-carboxamide?
The IUPAC name of 2-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]-N-methyl-2-azabicyclo[2.2.1]heptane-5-carboxamide (CID 172599292) is 2-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]-N-methyl-2-azabicyclo[2.2.1]heptane-5-carboxamide.
What is the SMILES notation for 2-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]-N-methyl-2-azabicyclo[2.2.1]heptane-5-carboxamide?
The canonical SMILES for 2-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]-N-methyl-2-azabicyclo[2.2.1]heptane-5-carboxamide is CNC(=O)C1CC2CC1CN2C1CCC(Nc2ncc3oc(C#N)cc3c2Br)CC1.
What is the InChIKey of 2-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]-N-methyl-2-azabicyclo[2.2.1]heptane-5-carboxamide?
The InChIKey is SXIPHOUMEATXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN5O2/c1-25-22(29)17-7-15-6-12(17)11-28(15)14-4-2-13(3-5-14)27-21-20(23)18-8-16(9-24)30-19(18)10-26-21/h8,10,12-15,17H,2-7,11H2,1H3,(H,25,29)(H,26,27).
What are the key properties of 2-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]-N-methyl-2-azabicyclo[2.2.1]heptane-5-carboxamide?
2-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]-N-methyl-2-azabicyclo[2.2.1]heptane-5-carboxamide has a molecular weight of 472.39 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]-N-methyl-2-azabicyclo[2.2.1]heptane-5-carboxamide is sourced from PubChem (CID 172599292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).