[2-(6-fluoroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate

C18H17FN6O2 — CID 126597530

IUPAC[2-(6-fluoroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1c[nH]c2ncc(-n3ncc4ccc(F)cc43)nc12
InChIInChI=1S/C18H17FN6O2/c1-18(2,3)24-17(26)27-13-8-20-16-15(13)23-14(9-21-16)25-12-6-11(19)5-4-10(12)7-22-25/h4-9H,1-3H3,(H,20,21)(H,24,26)
InChIKeyTZDHHDYCCTUSRU-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.32
Rot. Bonds2

About [2-(6-fluoroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate

[2-(6-fluoroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate (PubChem CID 126597530) has the molecular formula C18H17FN6O2 and a molecular weight of 368.37 g/mol. Its IUPAC name is [2-(6-fluoroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[2-(6-fluoroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
PubChem CID126597530
Molecular FormulaC18H17FN6O2
Molecular Weight368.37 g/mol
Exact Mass368.14
IUPAC Name[2-(6-fluoroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1c[nH]c2ncc(-n3ncc4ccc(F)cc43)nc12
InChIInChI=1S/C18H17FN6O2/c1-18(2,3)24-17(26)27-13-8-20-16-15(13)23-14(9-21-16)25-12-6-11(19)5-4-10(12)7-22-25/h4-9H,1-3H3,(H,20,21)(H,24,26)
InChIKeyTZDHHDYCCTUSRU-UHFFFAOYSA-N
XLogP3.32
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(6-fluoroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate?
The IUPAC name of [2-(6-fluoroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate (CID 126597530) is [2-(6-fluoroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate.
What is the SMILES notation for [2-(6-fluoroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate?
The canonical SMILES for [2-(6-fluoroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)Oc1c[nH]c2ncc(-n3ncc4ccc(F)cc43)nc12.
What is the InChIKey of [2-(6-fluoroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate?
The InChIKey is TZDHHDYCCTUSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O2/c1-18(2,3)24-17(26)27-13-8-20-16-15(13)23-14(9-21-16)25-12-6-11(19)5-4-10(12)7-22-25/h4-9H,1-3H3,(H,20,21)(H,24,26).
What are the key properties of [2-(6-fluoroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate?
[2-(6-fluoroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate has a molecular weight of 368.37 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-fluoroindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-tert-butylcarbamate is sourced from PubChem (CID 126597530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).