1-[(2R)-2-aminopropanoyl]azetidine-3-carbonitrile;azetidine-3-carbonitrile;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride

C28H36ClN11O3 — CID 159722778

IUPAC1-[(2R)-2-aminopropanoyl]azetidine-3-carbonitrile;azetidine-3-carbonitrile;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride
SMILESC[C@@H](N)C(=O)N1CC(C#N)C1.C[C@@H](NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C(=O)N1CC(C#N)C1.Cl.N#CC1CNC1
InChIInChI=1S/C17H18N6O2.C7H11N3O.C4H6N2.ClH/c1-9(17(25)23-7-10(4-18)8-23)21-16(24)12-5-19-15-14(12)22-13(6-20-15)11-2-3-11;1-5(9)7(11)10-3-6(2-8)4-10;5-1-4-2-6-3-4;/h5-6,9-11H,2-3,7-8H2,1H3,(H,19,20)(H,21,24);5-6H,3-4,9H2,1H3;4,6H,2-3H2;1H/t9-;5-;;/m11../s1
InChIKeyFCRDCVCQKHCUNM-HXWLMPAKSA-N
MW610.12 g/mol
LogP0.40
Rot. Bonds5

About 1-[(2R)-2-aminopropanoyl]azetidine-3-carbonitrile;azetidine-3-carbonitrile;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride

1-[(2R)-2-aminopropanoyl]azetidine-3-carbonitrile;azetidine-3-carbonitrile;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride (PubChem CID 159722778) has the molecular formula C28H36ClN11O3 and a molecular weight of 610.12 g/mol. Its IUPAC name is 1-[(2R)-2-aminopropanoyl]azetidine-3-carbonitrile;azetidine-3-carbonitrile;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(2R)-2-aminopropanoyl]azetidine-3-carbonitrile;azetidine-3-carbonitrile;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride
PubChem CID159722778
Molecular FormulaC28H36ClN11O3
Molecular Weight610.12 g/mol
Exact Mass609.27
IUPAC Name1-[(2R)-2-aminopropanoyl]azetidine-3-carbonitrile;azetidine-3-carbonitrile;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride
SMILESC[C@@H](N)C(=O)N1CC(C#N)C1.C[C@@H](NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C(=O)N1CC(C#N)C1.Cl.N#CC1CNC1
InChIInChI=1S/C17H18N6O2.C7H11N3O.C4H6N2.ClH/c1-9(17(25)23-7-10(4-18)8-23)21-16(24)12-5-19-15-14(12)22-13(6-20-15)11-2-3-11;1-5(9)7(11)10-3-6(2-8)4-10;5-1-4-2-6-3-4;/h5-6,9-11H,2-3,7-8H2,1H3,(H,19,20)(H,21,24);5-6H,3-4,9H2,1H3;4,6H,2-3H2;1H/t9-;5-;;/m11../s1
InChIKeyFCRDCVCQKHCUNM-HXWLMPAKSA-N
XLogP0.40
TPSA220.71 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.12
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 1-[(2R)-2-aminopropanoyl]azetidine-3-carbonitrile;azetidine-3-carbonitrile;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 53386043
N-[(2R,3S)-1-(4-cyanopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58438599
N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 67386629
N-[1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 78050642
N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288557
2-cyclopropyl-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 54674990
2-chloro-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 87380460
2-(6-chloro-1-methylindol-3-yl)-N-[1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 78050651
N-[(2S)-1-cyano-3,3-dimethylbutan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522109
N-[(1R)-2-(3-cyano-3-methylazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58438606
N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71285696
2-[6-chloro-1-(cyanomethyl)indazol-3-yl]-N-[1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 78050585

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-aminopropanoyl]azetidine-3-carbonitrile;azetidine-3-carbonitrile;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride?
The IUPAC name of 1-[(2R)-2-aminopropanoyl]azetidine-3-carbonitrile;azetidine-3-carbonitrile;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride (CID 159722778) is 1-[(2R)-2-aminopropanoyl]azetidine-3-carbonitrile;azetidine-3-carbonitrile;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(2R)-2-aminopropanoyl]azetidine-3-carbonitrile;azetidine-3-carbonitrile;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride?
The canonical SMILES for 1-[(2R)-2-aminopropanoyl]azetidine-3-carbonitrile;azetidine-3-carbonitrile;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride is C[C@@H](N)C(=O)N1CC(C#N)C1.C[C@@H](NC(=O)c1c[nH]c2ncc(C3CC3)nc12)C(=O)N1CC(C#N)C1.Cl.N#CC1CNC1.
What is the InChIKey of 1-[(2R)-2-aminopropanoyl]azetidine-3-carbonitrile;azetidine-3-carbonitrile;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride?
The InChIKey is FCRDCVCQKHCUNM-HXWLMPAKSA-N. The full InChI is InChI=1S/C17H18N6O2.C7H11N3O.C4H6N2.ClH/c1-9(17(25)23-7-10(4-18)8-23)21-16(24)12-5-19-15-14(12)22-13(6-20-15)11-2-3-11;1-5(9)7(11)10-3-6(2-8)4-10;5-1-4-2-6-3-4;/h5-6,9-11H,2-3,7-8H2,1H3,(H,19,20)(H,21,24);5-6H,3-4,9H2,1H3;4,6H,2-3H2;1H/t9-;5-;;/m11../s1.
What are the key properties of 1-[(2R)-2-aminopropanoyl]azetidine-3-carbonitrile;azetidine-3-carbonitrile;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride?
1-[(2R)-2-aminopropanoyl]azetidine-3-carbonitrile;azetidine-3-carbonitrile;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride has a molecular weight of 610.12 g/mol, XLogP of 0.40, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-aminopropanoyl]azetidine-3-carbonitrile;azetidine-3-carbonitrile;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-cyclopropyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride is sourced from PubChem (CID 159722778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).