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

C23H20ClN7O2 — CID 78050651

IUPAC2-(6-chloro-1-methylindol-3-yl)-N-[1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ncc(-c3cn(C)c4cc(Cl)ccc34)nc12)C(=O)N1CC(C#N)C1
InChIInChI=1S/C23H20ClN7O2/c1-12(23(33)31-9-13(6-25)10-31)28-22(32)16-7-26-21-20(16)29-18(8-27-21)17-11-30(2)19-5-14(24)3-4-15(17)19/h3-5,7-8,11-13H,9-10H2,1-2H3,(H,26,27)(H,28,32)
InChIKeyZAWMNWJJILKGIJ-UHFFFAOYSA-N
MW461.91 g/mol
LogP2.87
Rot. Bonds4

About 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

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 (PubChem CID 78050651) has the molecular formula C23H20ClN7O2 and a molecular weight of 461.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(6-chloro-1-methylindol-3-yl)-N-[1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID78050651
Molecular FormulaC23H20ClN7O2
Molecular Weight461.91 g/mol
Exact Mass461.14
IUPAC Name2-(6-chloro-1-methylindol-3-yl)-N-[1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(NC(=O)c1c[nH]c2ncc(-c3cn(C)c4cc(Cl)ccc34)nc12)C(=O)N1CC(C#N)C1
InChIInChI=1S/C23H20ClN7O2/c1-12(23(33)31-9-13(6-25)10-31)28-22(32)16-7-26-21-20(16)29-18(8-27-21)17-11-30(2)19-5-14(24)3-4-15(17)19/h3-5,7-8,11-13H,9-10H2,1-2H3,(H,26,27)(H,28,32)
InChIKeyZAWMNWJJILKGIJ-UHFFFAOYSA-N
XLogP2.87
TPSA119.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.91
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-chloro-1-propylindazol-3-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288572
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
2-[6-chloro-1-[2-(dimethylamino)-2-oxoethyl]indazol-3-yl]-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288815
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-ethylindazol-3-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-ethylindazol-3-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 160700421
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-(6-chloro-1H-indol-3-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288848
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
2-(1-bromopropan-2-yloxy)oxane;2-[6-chloro-1-(2-hydroxypropyl)indazol-3-yl]-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 158251574
[2-(6-chloro-1-methylindol-3-yl)-7-(propan-2-ylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl] thiohypofluorite;1-formylazetidine-3-carbonitrile
CID 144540472
2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71286167
N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-[4,5-dichloro-2-(methylamino)benzenecarboximidoyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 126605645

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(NC(=O)c1c[nH]c2ncc(-c3cn(C)c4cc(Cl)ccc34)nc12)C(=O)N1CC(C#N)C1.
What is the InChIKey of 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?
The InChIKey is ZAWMNWJJILKGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN7O2/c1-12(23(33)31-9-13(6-25)10-31)28-22(32)16-7-26-21-20(16)29-18(8-27-21)17-11-30(2)19-5-14(24)3-4-15(17)19/h3-5,7-8,11-13H,9-10H2,1-2H3,(H,26,27)(H,28,32).
What are the key properties of 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?
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 has a molecular weight of 461.91 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 78050651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).