2-(6-chloro-1-methylindazol-3-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C18H17ClN6O2 — CID 71290391

IUPAC2-(6-chloro-1-methylindazol-3-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCOCCNC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12
InChIInChI=1S/C18H17ClN6O2/c1-25-14-7-10(19)3-4-11(14)15(24-25)13-9-22-17-16(23-13)12(8-21-17)18(26)20-5-6-27-2/h3-4,7-9H,5-6H2,1-2H3,(H,20,26)(H,21,22)
InChIKeyAZSCCGZYJBYOSH-UHFFFAOYSA-N
MW384.83 g/mol
LogP2.54
Rot. Bonds5

About 2-(6-chloro-1-methylindazol-3-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(6-chloro-1-methylindazol-3-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71290391) has the molecular formula C18H17ClN6O2 and a molecular weight of 384.83 g/mol. Its IUPAC name is 2-(6-chloro-1-methylindazol-3-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-chloro-1-methylindazol-3-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71290391
Molecular FormulaC18H17ClN6O2
Molecular Weight384.83 g/mol
Exact Mass384.11
IUPAC Name2-(6-chloro-1-methylindazol-3-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCOCCNC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12
InChIInChI=1S/C18H17ClN6O2/c1-25-14-7-10(19)3-4-11(14)15(24-25)13-9-22-17-16(23-13)12(8-21-17)18(26)20-5-6-27-2/h3-4,7-9H,5-6H2,1-2H3,(H,20,26)(H,21,22)
InChIKeyAZSCCGZYJBYOSH-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-methylindazol-3-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-chloro-1-methylindazol-3-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71290391) is 2-(6-chloro-1-methylindazol-3-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-chloro-1-methylindazol-3-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-chloro-1-methylindazol-3-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is COCCNC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12.
What is the InChIKey of 2-(6-chloro-1-methylindazol-3-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is AZSCCGZYJBYOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O2/c1-25-14-7-10(19)3-4-11(14)15(24-25)13-9-22-17-16(23-13)12(8-21-17)18(26)20-5-6-27-2/h3-4,7-9H,5-6H2,1-2H3,(H,20,26)(H,21,22).
What are the key properties of 2-(6-chloro-1-methylindazol-3-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-chloro-1-methylindazol-3-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 384.83 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-methylindazol-3-yl)-N-(2-methoxyethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71290391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).