(2R)-1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]pyrrolidine-2-carboxamide

C19H22BrN5O2 — CID 172598787

IUPAC(2R)-1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]pyrrolidine-2-carboxamide
SMILESN#Cc1cc2c(Br)c(NC3CCC(N4CCC[C@@H]4C(N)=O)CC3)ncc2o1
InChIInChI=1S/C19H22BrN5O2/c20-17-14-8-13(9-21)27-16(14)10-23-19(17)24-11-3-5-12(6-4-11)25-7-1-2-15(25)18(22)26/h8,10-12,15H,1-7H2,(H2,22,26)(H,23,24)/t11?,12?,15-/m1/s1
InChIKeySMEGSUPDOXWSBK-KOHJWAIASA-N
MW432.32 g/mol
LogP3.13
Rot. Bonds4

About (2R)-1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]pyrrolidine-2-carboxamide

(2R)-1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]pyrrolidine-2-carboxamide (PubChem CID 172598787) has the molecular formula C19H22BrN5O2 and a molecular weight of 432.32 g/mol. Its IUPAC name is (2R)-1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]pyrrolidine-2-carboxamide
PubChem CID172598787
Molecular FormulaC19H22BrN5O2
Molecular Weight432.32 g/mol
Exact Mass431.10
IUPAC Name(2R)-1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]pyrrolidine-2-carboxamide
SMILESN#Cc1cc2c(Br)c(NC3CCC(N4CCC[C@@H]4C(N)=O)CC3)ncc2o1
InChIInChI=1S/C19H22BrN5O2/c20-17-14-8-13(9-21)27-16(14)10-23-19(17)24-11-3-5-12(6-4-11)25-7-1-2-15(25)18(22)26/h8,10-12,15H,1-7H2,(H2,22,26)(H,23,24)/t11?,12?,15-/m1/s1
InChIKeySMEGSUPDOXWSBK-KOHJWAIASA-N
XLogP3.13
TPSA108.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]piperidine-3-carboxamide
CID 172598249
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-(3-hydroxyazetidin-1-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599197
(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
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
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-thiomorpholin-4-ylcyclohexyl)amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598703
4-bromo-5-[[4-[2-(2-hydroxy-2-methylpropyl)azetidin-1-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599379
4-bromo-5-[[4-(3,4-difluoropyrrolidin-1-yl)cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172599696
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-[3-(1-hydroxyethyl)azetidin-1-yl]cyclohexyl]amino]furo[2,3-c]pyridine-2-carbonitrile
CID 172598302

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]pyrrolidine-2-carboxamide (CID 172598787) is (2R)-1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]pyrrolidine-2-carboxamide is N#Cc1cc2c(Br)c(NC3CCC(N4CCC[C@@H]4C(N)=O)CC3)ncc2o1.
What is the InChIKey of (2R)-1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]pyrrolidine-2-carboxamide?
The InChIKey is SMEGSUPDOXWSBK-KOHJWAIASA-N. The full InChI is InChI=1S/C19H22BrN5O2/c20-17-14-8-13(9-21)27-16(14)10-23-19(17)24-11-3-5-12(6-4-11)25-7-1-2-15(25)18(22)26/h8,10-12,15H,1-7H2,(H2,22,26)(H,23,24)/t11?,12?,15-/m1/s1.
What are the key properties of (2R)-1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]pyrrolidine-2-carboxamide?
(2R)-1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]pyrrolidine-2-carboxamide has a molecular weight of 432.32 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(4-bromo-2-cyanofuro[2,3-c]pyridin-5-yl)amino]cyclohexyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 172598787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).