4-bromo-5-[[4-[[(3S)-oxolan-3-yl]amino]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile

C18H21BrN4O2 — CID 172598200

IUPAC4-bromo-5-[[4-[[(3S)-oxolan-3-yl]amino]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
SMILESN#Cc1cc2c(Br)c(NC3CCC(N[C@H]4CCOC4)CC3)ncc2o1
InChIInChI=1S/C18H21BrN4O2/c19-17-15-7-14(8-20)25-16(15)9-21-18(17)23-12-3-1-11(2-4-12)22-13-5-6-24-10-13/h7,9,11-13,22H,1-6,10H2,(H,21,23)/t11?,12?,13-/m0/s1
InChIKeyBADGXUQJDKVYPC-BPCQOVAHSA-N
MW405.30 g/mol
LogP3.56
Rot. Bonds4

About 4-bromo-5-[[4-[[(3S)-oxolan-3-yl]amino]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile

4-bromo-5-[[4-[[(3S)-oxolan-3-yl]amino]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile (PubChem CID 172598200) has the molecular formula C18H21BrN4O2 and a molecular weight of 405.30 g/mol. Its IUPAC name is 4-bromo-5-[[4-[[(3S)-oxolan-3-yl]amino]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-bromo-5-[[4-[[(3S)-oxolan-3-yl]amino]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
PubChem CID172598200
Molecular FormulaC18H21BrN4O2
Molecular Weight405.30 g/mol
Exact Mass404.08
IUPAC Name4-bromo-5-[[4-[[(3S)-oxolan-3-yl]amino]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
SMILESN#Cc1cc2c(Br)c(NC3CCC(N[C@H]4CCOC4)CC3)ncc2o1
InChIInChI=1S/C18H21BrN4O2/c19-17-15-7-14(8-20)25-16(15)9-21-18(17)23-12-3-1-11(2-4-12)22-13-5-6-24-10-13/h7,9,11-13,22H,1-6,10H2,(H,21,23)/t11?,12?,13-/m0/s1
InChIKeyBADGXUQJDKVYPC-BPCQOVAHSA-N
XLogP3.56
TPSA83.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-bromo-5-[[4-[[(3S)-oxolan-3-yl]amino]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile with MolForge

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Related Compounds

4-bromo-5-(cyclopentylamino)furo[2,3-c]pyridine-2-carbonitrile
CID 172599300
4-bromo-5-[[1-(oxetan-3-yl)azetidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598885
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-[[1-(oxetan-3-yl)pyrrolidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598454
4-bromo-5-[(4-thiomorpholin-4-ylcyclohexyl)amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598703
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-(2-oxo-8-azabicyclo[3.2.1]octan-8-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599542
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-(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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[[4-[[(3S)-oxolan-3-yl]amino]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile?
The IUPAC name of 4-bromo-5-[[4-[[(3S)-oxolan-3-yl]amino]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile (CID 172598200) is 4-bromo-5-[[4-[[(3S)-oxolan-3-yl]amino]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile.
What is the SMILES notation for 4-bromo-5-[[4-[[(3S)-oxolan-3-yl]amino]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile?
The canonical SMILES for 4-bromo-5-[[4-[[(3S)-oxolan-3-yl]amino]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile is N#Cc1cc2c(Br)c(NC3CCC(N[C@H]4CCOC4)CC3)ncc2o1.
What is the InChIKey of 4-bromo-5-[[4-[[(3S)-oxolan-3-yl]amino]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile?
The InChIKey is BADGXUQJDKVYPC-BPCQOVAHSA-N. The full InChI is InChI=1S/C18H21BrN4O2/c19-17-15-7-14(8-20)25-16(15)9-21-18(17)23-12-3-1-11(2-4-12)22-13-5-6-24-10-13/h7,9,11-13,22H,1-6,10H2,(H,21,23)/t11?,12?,13-/m0/s1.
What are the key properties of 4-bromo-5-[[4-[[(3S)-oxolan-3-yl]amino]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile?
4-bromo-5-[[4-[[(3S)-oxolan-3-yl]amino]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile has a molecular weight of 405.30 g/mol, XLogP of 3.56, 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-[[(3S)-oxolan-3-yl]amino]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile is sourced from PubChem (CID 172598200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).