[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-pentan-2-ylcarbamate

C20H21FN6O2 — CID 126597604

IUPAC[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-pentan-2-ylcarbamate
SMILESCCCC(C)NC(=O)Oc1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12
InChIInChI=1S/C20H21FN6O2/c1-4-5-11(2)24-20(28)29-16-10-23-19-18(16)25-14(9-22-19)17-13-7-6-12(21)8-15(13)27(3)26-17/h6-11H,4-5H2,1-3H3,(H,22,23)(H,24,28)
InChIKeyXLMYAZUENOXPNH-UHFFFAOYSA-N
MW396.43 g/mol
LogP3.93
Rot. Bonds5

About [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-pentan-2-ylcarbamate

[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-pentan-2-ylcarbamate (PubChem CID 126597604) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-pentan-2-ylcarbamate.

Molecular Properties

Compound Name[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-pentan-2-ylcarbamate
PubChem CID126597604
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC Name[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-pentan-2-ylcarbamate
SMILESCCCC(C)NC(=O)Oc1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12
InChIInChI=1S/C20H21FN6O2/c1-4-5-11(2)24-20(28)29-16-10-23-19-18(16)25-14(9-22-19)17-13-7-6-12(21)8-15(13)27(3)26-17/h6-11H,4-5H2,1-3H3,(H,22,23)(H,24,28)
InChIKeyXLMYAZUENOXPNH-UHFFFAOYSA-N
XLogP3.93
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-pentan-2-ylcarbamate?
The IUPAC name of [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-pentan-2-ylcarbamate (CID 126597604) is [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-pentan-2-ylcarbamate.
What is the SMILES notation for [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-pentan-2-ylcarbamate?
The canonical SMILES for [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-pentan-2-ylcarbamate is CCCC(C)NC(=O)Oc1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12.
What is the InChIKey of [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-pentan-2-ylcarbamate?
The InChIKey is XLMYAZUENOXPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c1-4-5-11(2)24-20(28)29-16-10-23-19-18(16)25-14(9-22-19)17-13-7-6-12(21)8-15(13)27(3)26-17/h6-11H,4-5H2,1-3H3,(H,22,23)(H,24,28).
What are the key properties of [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-pentan-2-ylcarbamate?
[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-pentan-2-ylcarbamate has a molecular weight of 396.43 g/mol, XLogP of 3.93, 5 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)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-pentan-2-ylcarbamate is sourced from PubChem (CID 126597604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).