4-iodo-5-[[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile

C19H21IN4O2 — CID 172598846

IUPAC4-iodo-5-[[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
SMILESN#Cc1cc2c(I)c(NC3CCC(N4CC5(COC5)C4)CC3)ncc2o1
InChIInChI=1S/C19H21IN4O2/c20-17-15-5-14(6-21)26-16(15)7-22-18(17)23-12-1-3-13(4-2-12)24-8-19(9-24)10-25-11-19/h5,7,12-13H,1-4,8-11H2,(H,22,23)
InChIKeyAMAFKVILCMSVES-UHFFFAOYSA-N
MW464.31 g/mol
LogP3.36
Rot. Bonds3

About 4-iodo-5-[[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile

4-iodo-5-[[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile (PubChem CID 172598846) has the molecular formula C19H21IN4O2 and a molecular weight of 464.31 g/mol. Its IUPAC name is 4-iodo-5-[[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-iodo-5-[[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
PubChem CID172598846
Molecular FormulaC19H21IN4O2
Molecular Weight464.31 g/mol
Exact Mass464.07
IUPAC Name4-iodo-5-[[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
SMILESN#Cc1cc2c(I)c(NC3CCC(N4CC5(COC5)C4)CC3)ncc2o1
InChIInChI=1S/C19H21IN4O2/c20-17-15-5-14(6-21)26-16(15)7-22-18(17)23-12-1-3-13(4-2-12)24-8-19(9-24)10-25-11-19/h5,7,12-13H,1-4,8-11H2,(H,22,23)
InChIKeyAMAFKVILCMSVES-UHFFFAOYSA-N
XLogP3.36
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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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
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-(1-oxa-7-azaspiro[3.5]nonan-7-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598395
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)azetidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598885
1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]piperidine-3-carboxamide
CID 172598249
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-[[1-(oxetan-3-yl)pyrrolidin-3-yl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598454

Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-[[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile?
The IUPAC name of 4-iodo-5-[[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile (CID 172598846) is 4-iodo-5-[[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile.
What is the SMILES notation for 4-iodo-5-[[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile?
The canonical SMILES for 4-iodo-5-[[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile is N#Cc1cc2c(I)c(NC3CCC(N4CC5(COC5)C4)CC3)ncc2o1.
What is the InChIKey of 4-iodo-5-[[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile?
The InChIKey is AMAFKVILCMSVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21IN4O2/c20-17-15-5-14(6-21)26-16(15)7-22-18(17)23-12-1-3-13(4-2-12)24-8-19(9-24)10-25-11-19/h5,7,12-13H,1-4,8-11H2,(H,22,23).
What are the key properties of 4-iodo-5-[[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile?
4-iodo-5-[[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile has a molecular weight of 464.31 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-[[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile is sourced from PubChem (CID 172598846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).