[2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate

C18H16F2N6O2 — CID 126597547

IUPAC[2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c[nH]c2ncc(-c3nn(C)c4cc(F)cc(F)c34)nc12
InChIInChI=1S/C18H16F2N6O2/c1-8(2)23-18(27)28-13-7-22-17-16(13)24-11(6-21-17)15-14-10(20)4-9(19)5-12(14)26(3)25-15/h4-8H,1-3H3,(H,21,22)(H,23,27)
InChIKeyRJIPJPDSWPDRJS-UHFFFAOYSA-N
MW386.36 g/mol
LogP3.29
Rot. Bonds3

About [2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate

[2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate (PubChem CID 126597547) has the molecular formula C18H16F2N6O2 and a molecular weight of 386.36 g/mol. Its IUPAC name is [2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
PubChem CID126597547
Molecular FormulaC18H16F2N6O2
Molecular Weight386.36 g/mol
Exact Mass386.13
IUPAC Name[2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c[nH]c2ncc(-c3nn(C)c4cc(F)cc(F)c34)nc12
InChIInChI=1S/C18H16F2N6O2/c1-8(2)23-18(27)28-13-7-22-17-16(13)24-11(6-21-17)15-14-10(20)4-9(19)5-12(14)26(3)25-15/h4-8H,1-3H3,(H,21,22)(H,23,27)
InChIKeyRJIPJPDSWPDRJS-UHFFFAOYSA-N
XLogP3.29
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
The IUPAC name of [2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate (CID 126597547) is [2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate.
What is the SMILES notation for [2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
The canonical SMILES for [2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate is CC(C)NC(=O)Oc1c[nH]c2ncc(-c3nn(C)c4cc(F)cc(F)c34)nc12.
What is the InChIKey of [2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
The InChIKey is RJIPJPDSWPDRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N6O2/c1-8(2)23-18(27)28-13-7-22-17-16(13)24-11(6-21-17)15-14-10(20)4-9(19)5-12(14)26(3)25-15/h4-8H,1-3H3,(H,21,22)(H,23,27).
What are the key properties of [2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate?
[2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate has a molecular weight of 386.36 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-propan-2-ylcarbamate is sourced from PubChem (CID 126597547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).