2-(5-chloroindazol-1-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C21H17ClN8O2 — CID 71288707

IUPAC2-(5-chloroindazol-1-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c2ncc(-n3ncc4cc(Cl)ccc43)nc12)C(=O)N1CC(C#N)C1
InChIInChI=1S/C21H17ClN8O2/c1-11(21(32)29-9-12(5-23)10-29)27-20(31)15-7-24-19-18(15)28-17(8-25-19)30-16-3-2-14(22)4-13(16)6-26-30/h2-4,6-8,11-12H,9-10H2,1H3,(H,24,25)(H,27,31)/t11-/m1/s1
InChIKeyCHHLXGOWLAGVTK-LLVKDONJSA-N
MW448.87 g/mol
LogP2.05
Rot. Bonds4

About 2-(5-chloroindazol-1-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(5-chloroindazol-1-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71288707) has the molecular formula C21H17ClN8O2 and a molecular weight of 448.87 g/mol. Its IUPAC name is 2-(5-chloroindazol-1-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(5-chloroindazol-1-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71288707
Molecular FormulaC21H17ClN8O2
Molecular Weight448.87 g/mol
Exact Mass448.12
IUPAC Name2-(5-chloroindazol-1-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c2ncc(-n3ncc4cc(Cl)ccc43)nc12)C(=O)N1CC(C#N)C1
InChIInChI=1S/C21H17ClN8O2/c1-11(21(32)29-9-12(5-23)10-29)27-20(31)15-7-24-19-18(15)28-17(8-25-19)30-16-3-2-14(22)4-13(16)6-26-30/h2-4,6-8,11-12H,9-10H2,1H3,(H,24,25)(H,27,31)/t11-/m1/s1
InChIKeyCHHLXGOWLAGVTK-LLVKDONJSA-N
XLogP2.05
TPSA132.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.87
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(5-chloroindazol-1-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Related Compounds

N-[(2r)-1-(3-Cyanoazetidin-1-Yl)-1-Oxidanylidene-Propan-2-Yl]-2-(6-Fluoranyl-1-Methyl-Indazol-3-Yl)-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 71285696
2-(6-Chloro-1-Methyl-1h-Indazol-3-Yl)-N-(Propan-2-Yl)-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 71279939
2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71286084
2-(6-chloro-1-methylindazol-3-yl)-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288512
2-(6-chloro-1-methylindol-3-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288693
2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288724
5-(azetidine-1-carbonyl)-2-chloro-3-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)imidazole-4-carboxamide
CID 165414887
4-N-[(6-chloro-3-pyridinyl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 87381292
N-[5-(4-butanoyl-5-methylpyrazol-1-yl)pyrazin-2-yl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
CID 66575821
N-(3-(3-chlorophenyl)-1-isopropyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66851201
N-tert-butyl-2-(6-chloro-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279444
N-(3-amino-1-methylcyclobutyl)-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71279563

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroindazol-1-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(5-chloroindazol-1-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71288707) is 2-(5-chloroindazol-1-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(5-chloroindazol-1-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(5-chloroindazol-1-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@@H](NC(=O)c1c[nH]c2ncc(-n3ncc4cc(Cl)ccc43)nc12)C(=O)N1CC(C#N)C1.
What is the InChIKey of 2-(5-chloroindazol-1-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is CHHLXGOWLAGVTK-LLVKDONJSA-N. The full InChI is InChI=1S/C21H17ClN8O2/c1-11(21(32)29-9-12(5-23)10-29)27-20(31)15-7-24-19-18(15)28-17(8-25-19)30-16-3-2-14(22)4-13(16)6-26-30/h2-4,6-8,11-12H,9-10H2,1H3,(H,24,25)(H,27,31)/t11-/m1/s1.
What are the key properties of 2-(5-chloroindazol-1-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(5-chloroindazol-1-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 448.87 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroindazol-1-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71288707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).