4-bromo-5-[[4-[3-(1-hydroxyethyl)azetidin-1-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile

C19H23BrN4O2 — CID 172598302

IUPAC4-bromo-5-[[4-[3-(1-hydroxyethyl)azetidin-1-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
SMILESCC(O)C1CN(C2CCC(Nc3ncc4oc(C#N)cc4c3Br)CC2)C1
InChIInChI=1S/C19H23BrN4O2/c1-11(25)12-9-24(10-12)14-4-2-13(3-5-14)23-19-18(20)16-6-15(7-21)26-17(16)8-22-19/h6,8,11-14,25H,2-5,9-10H2,1H3,(H,22,23)
InChIKeyARVKIHXHTBFLRR-UHFFFAOYSA-N
MW419.32 g/mol
LogP3.50
Rot. Bonds4

About 4-bromo-5-[[4-[3-(1-hydroxyethyl)azetidin-1-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile

4-bromo-5-[[4-[3-(1-hydroxyethyl)azetidin-1-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile (PubChem CID 172598302) has the molecular formula C19H23BrN4O2 and a molecular weight of 419.32 g/mol. Its IUPAC name is 4-bromo-5-[[4-[3-(1-hydroxyethyl)azetidin-1-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-bromo-5-[[4-[3-(1-hydroxyethyl)azetidin-1-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
PubChem CID172598302
Molecular FormulaC19H23BrN4O2
Molecular Weight419.32 g/mol
Exact Mass418.10
IUPAC Name4-bromo-5-[[4-[3-(1-hydroxyethyl)azetidin-1-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
SMILESCC(O)C1CN(C2CCC(Nc3ncc4oc(C#N)cc4c3Br)CC2)C1
InChIInChI=1S/C19H23BrN4O2/c1-11(25)12-9-24(10-12)14-4-2-13(3-5-14)23-19-18(20)16-6-15(7-21)26-17(16)8-22-19/h6,8,11-14,25H,2-5,9-10H2,1H3,(H,22,23)
InChIKeyARVKIHXHTBFLRR-UHFFFAOYSA-N
XLogP3.50
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-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
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-(cyclopentylamino)furo[2,3-c]pyridine-2-carbonitrile
CID 172599300
4-bromo-5-[[4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598447
4-bromo-5-[[4-[(2R)-2-methyl-6-methylidenemorpholin-4-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599556
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-(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-[[4-(1-oxa-7-azaspiro[3.5]nonan-7-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598395

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[[4-[3-(1-hydroxyethyl)azetidin-1-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile?
The IUPAC name of 4-bromo-5-[[4-[3-(1-hydroxyethyl)azetidin-1-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile (CID 172598302) is 4-bromo-5-[[4-[3-(1-hydroxyethyl)azetidin-1-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile.
What is the SMILES notation for 4-bromo-5-[[4-[3-(1-hydroxyethyl)azetidin-1-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile?
The canonical SMILES for 4-bromo-5-[[4-[3-(1-hydroxyethyl)azetidin-1-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile is CC(O)C1CN(C2CCC(Nc3ncc4oc(C#N)cc4c3Br)CC2)C1.
What is the InChIKey of 4-bromo-5-[[4-[3-(1-hydroxyethyl)azetidin-1-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile?
The InChIKey is ARVKIHXHTBFLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O2/c1-11(25)12-9-24(10-12)14-4-2-13(3-5-14)23-19-18(20)16-6-15(7-21)26-17(16)8-22-19/h6,8,11-14,25H,2-5,9-10H2,1H3,(H,22,23).
What are the key properties of 4-bromo-5-[[4-[3-(1-hydroxyethyl)azetidin-1-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile?
4-bromo-5-[[4-[3-(1-hydroxyethyl)azetidin-1-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile has a molecular weight of 419.32 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[[4-[3-(1-hydroxyethyl)azetidin-1-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile is sourced from PubChem (CID 172598302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).