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

C16H13FN6O2 — CID 86677988

IUPAC2-(6-fluoro-1-methylindazol-3-yl)-N-methoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCONC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12
InChIInChI=1S/C16H13FN6O2/c1-23-12-5-8(17)3-4-9(12)13(21-23)11-7-19-15-14(20-11)10(6-18-15)16(24)22-25-2/h3-7H,1-2H3,(H,18,19)(H,22,24)
InChIKeyMOIBRKLHDWNTRI-UHFFFAOYSA-N
MW340.32 g/mol
LogP1.94
Rot. Bonds3

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

2-(6-fluoro-1-methylindazol-3-yl)-N-methoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 86677988) has the molecular formula C16H13FN6O2 and a molecular weight of 340.32 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylindazol-3-yl)-N-methoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-fluoro-1-methylindazol-3-yl)-N-methoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID86677988
Molecular FormulaC16H13FN6O2
Molecular Weight340.32 g/mol
Exact Mass340.11
IUPAC Name2-(6-fluoro-1-methylindazol-3-yl)-N-methoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCONC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12
InChIInChI=1S/C16H13FN6O2/c1-23-12-5-8(17)3-4-9(12)13(21-23)11-7-19-15-14(20-11)10(6-18-15)16(24)22-25-2/h3-7H,1-2H3,(H,18,19)(H,22,24)
InChIKeyMOIBRKLHDWNTRI-UHFFFAOYSA-N
XLogP1.94
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-methoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-methoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 86677988) is 2-(6-fluoro-1-methylindazol-3-yl)-N-methoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-fluoro-1-methylindazol-3-yl)-N-methoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-fluoro-1-methylindazol-3-yl)-N-methoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CONC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12.
What is the InChIKey of 2-(6-fluoro-1-methylindazol-3-yl)-N-methoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is MOIBRKLHDWNTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6O2/c1-23-12-5-8(17)3-4-9(12)13(21-23)11-7-19-15-14(20-11)10(6-18-15)16(24)22-25-2/h3-7H,1-2H3,(H,18,19)(H,22,24).
What are the key properties of 2-(6-fluoro-1-methylindazol-3-yl)-N-methoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-fluoro-1-methylindazol-3-yl)-N-methoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 340.32 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methylindazol-3-yl)-N-methoxy-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 86677988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).