2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C18H17ClN6O2 — CID 78050683

IUPAC2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCOCC(C)NC(=O)c1c[nH]c2ncc(-n3cnc4cc(Cl)ccc43)nc12
InChIInChI=1S/C18H17ClN6O2/c1-10(8-27-2)23-18(26)12-6-20-17-16(12)24-15(7-21-17)25-9-22-13-5-11(19)3-4-14(13)25/h3-7,9-10H,8H2,1-2H3,(H,20,21)(H,23,26)
InChIKeyQSTMMZLLJMFMPF-UHFFFAOYSA-N
MW384.83 g/mol
LogP2.71
Rot. Bonds5

About 2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 78050683) has the molecular formula C18H17ClN6O2 and a molecular weight of 384.83 g/mol. Its IUPAC name is 2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID78050683
Molecular FormulaC18H17ClN6O2
Molecular Weight384.83 g/mol
Exact Mass384.11
IUPAC Name2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCOCC(C)NC(=O)c1c[nH]c2ncc(-n3cnc4cc(Cl)ccc43)nc12
InChIInChI=1S/C18H17ClN6O2/c1-10(8-27-2)23-18(26)12-6-20-17-16(12)24-15(7-21-17)25-9-22-13-5-11(19)3-4-14(13)25/h3-7,9-10H,8H2,1-2H3,(H,20,21)(H,23,26)
InChIKeyQSTMMZLLJMFMPF-UHFFFAOYSA-N
XLogP2.71
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.83
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 78050683) is 2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is COCC(C)NC(=O)c1c[nH]c2ncc(-n3cnc4cc(Cl)ccc43)nc12.
What is the InChIKey of 2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is QSTMMZLLJMFMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O2/c1-10(8-27-2)23-18(26)12-6-20-17-16(12)24-15(7-21-17)25-9-22-13-5-11(19)3-4-14(13)25/h3-7,9-10H,8H2,1-2H3,(H,20,21)(H,23,26).
What are the key properties of 2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 384.83 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorobenzimidazol-1-yl)-N-(1-methoxypropan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 78050683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).