[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(4-methylpentan-2-yl)carbamate

C21H23FN6O2 — CID 126597487

IUPAC[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(4-methylpentan-2-yl)carbamate
SMILESCC(C)CC(C)NC(=O)Oc1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12
InChIInChI=1S/C21H23FN6O2/c1-11(2)7-12(3)25-21(29)30-17-10-24-20-19(17)26-15(9-23-20)18-14-6-5-13(22)8-16(14)28(4)27-18/h5-6,8-12H,7H2,1-4H3,(H,23,24)(H,25,29)
InChIKeyAHODHERKUQERKI-UHFFFAOYSA-N
MW410.45 g/mol
LogP4.17
Rot. Bonds5

About [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(4-methylpentan-2-yl)carbamate

[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(4-methylpentan-2-yl)carbamate (PubChem CID 126597487) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(4-methylpentan-2-yl)carbamate.

Molecular Properties

Compound Name[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(4-methylpentan-2-yl)carbamate
PubChem CID126597487
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC Name[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(4-methylpentan-2-yl)carbamate
SMILESCC(C)CC(C)NC(=O)Oc1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12
InChIInChI=1S/C21H23FN6O2/c1-11(2)7-12(3)25-21(29)30-17-10-24-20-19(17)26-15(9-23-20)18-14-6-5-13(22)8-16(14)28(4)27-18/h5-6,8-12H,7H2,1-4H3,(H,23,24)(H,25,29)
InChIKeyAHODHERKUQERKI-UHFFFAOYSA-N
XLogP4.17
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.17
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-(4-methylpentan-2-yl)carbamate?
The IUPAC name of [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(4-methylpentan-2-yl)carbamate (CID 126597487) is [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(4-methylpentan-2-yl)carbamate.
What is the SMILES notation for [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(4-methylpentan-2-yl)carbamate?
The canonical SMILES for [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(4-methylpentan-2-yl)carbamate is CC(C)CC(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-(4-methylpentan-2-yl)carbamate?
The InChIKey is AHODHERKUQERKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O2/c1-11(2)7-12(3)25-21(29)30-17-10-24-20-19(17)26-15(9-23-20)18-14-6-5-13(22)8-16(14)28(4)27-18/h5-6,8-12H,7H2,1-4H3,(H,23,24)(H,25,29).
What are the key properties of [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(4-methylpentan-2-yl)carbamate?
[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(4-methylpentan-2-yl)carbamate has a molecular weight of 410.45 g/mol, XLogP of 4.17, 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-(4-methylpentan-2-yl)carbamate is sourced from PubChem (CID 126597487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).