N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-imidazo[1,2-a]pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C20H20N8O2 — CID 71288374

IUPACN-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-imidazo[1,2-a]pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c2ncc(-c3cnc4ccccn34)nc12)C(=O)N1CC(N)C1
InChIInChI=1S/C20H20N8O2/c1-11(20(30)27-9-12(21)10-27)25-19(29)13-6-23-18-17(13)26-14(7-24-18)15-8-22-16-4-2-3-5-28(15)16/h2-8,11-12H,9-10,21H2,1H3,(H,23,24)(H,25,29)/t11-/m1/s1
InChIKeyLPPQCDXBQXYKEW-LLVKDONJSA-N
MW404.43 g/mol
LogP0.56
Rot. Bonds4

About N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-imidazo[1,2-a]pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-imidazo[1,2-a]pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71288374) has the molecular formula C20H20N8O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-imidazo[1,2-a]pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-imidazo[1,2-a]pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71288374
Molecular FormulaC20H20N8O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC NameN-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-imidazo[1,2-a]pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](NC(=O)c1c[nH]c2ncc(-c3cnc4ccccn34)nc12)C(=O)N1CC(N)C1
InChIInChI=1S/C20H20N8O2/c1-11(20(30)27-9-12(21)10-27)25-19(29)13-6-23-18-17(13)26-14(7-24-18)15-8-22-16-4-2-3-5-28(15)16/h2-8,11-12H,9-10,21H2,1H3,(H,23,24)(H,25,29)/t11-/m1/s1
InChIKeyLPPQCDXBQXYKEW-LLVKDONJSA-N
XLogP0.56
TPSA134.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-imidazo[1,2-a]pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-imidazo[1,2-a]pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-imidazo[1,2-a]pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71288374) is N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-imidazo[1,2-a]pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-imidazo[1,2-a]pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-imidazo[1,2-a]pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@@H](NC(=O)c1c[nH]c2ncc(-c3cnc4ccccn34)nc12)C(=O)N1CC(N)C1.
What is the InChIKey of N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-imidazo[1,2-a]pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is LPPQCDXBQXYKEW-LLVKDONJSA-N. The full InChI is InChI=1S/C20H20N8O2/c1-11(20(30)27-9-12(21)10-27)25-19(29)13-6-23-18-17(13)26-14(7-24-18)15-8-22-16-4-2-3-5-28(15)16/h2-8,11-12H,9-10,21H2,1H3,(H,23,24)(H,25,29)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-imidazo[1,2-a]pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-imidazo[1,2-a]pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3-aminoazetidin-1-yl)-1-oxopropan-2-yl]-2-imidazo[1,2-a]pyridin-3-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71288374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).