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

C19H19FN6O2 — CID 126597591

IUPAC[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-butan-2-yl]carbamate
SMILESCC[C@H](C)NC(=O)Oc1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12
InChIInChI=1S/C19H19FN6O2/c1-4-10(2)23-19(27)28-15-9-22-18-17(15)24-13(8-21-18)16-12-6-5-11(20)7-14(12)26(3)25-16/h5-10H,4H2,1-3H3,(H,21,22)(H,23,27)/t10-/m0/s1
InChIKeyNRGZGHBOVFCLGS-JTQLQIEISA-N
MW382.40 g/mol
LogP3.54
Rot. Bonds4

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

[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-butan-2-yl]carbamate (PubChem CID 126597591) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-butan-2-yl]carbamate.

Molecular Properties

Compound Name[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-butan-2-yl]carbamate
PubChem CID126597591
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-butan-2-yl]carbamate
SMILESCC[C@H](C)NC(=O)Oc1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12
InChIInChI=1S/C19H19FN6O2/c1-4-10(2)23-19(27)28-15-9-22-18-17(15)24-13(8-21-18)16-12-6-5-11(20)7-14(12)26(3)25-16/h5-10H,4H2,1-3H3,(H,21,22)(H,23,27)/t10-/m0/s1
InChIKeyNRGZGHBOVFCLGS-JTQLQIEISA-N
XLogP3.54
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.54
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-[(2S)-butan-2-yl]carbamate?
The IUPAC name of [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-butan-2-yl]carbamate (CID 126597591) is [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-butan-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-[(2S)-butan-2-yl]carbamate?
The canonical SMILES for [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-butan-2-yl]carbamate is CC[C@H](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-[(2S)-butan-2-yl]carbamate?
The InChIKey is NRGZGHBOVFCLGS-JTQLQIEISA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-4-10(2)23-19(27)28-15-9-22-18-17(15)24-13(8-21-18)16-12-6-5-11(20)7-14(12)26(3)25-16/h5-10H,4H2,1-3H3,(H,21,22)(H,23,27)/t10-/m0/s1.
What are the key properties of [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-butan-2-yl]carbamate?
[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-butan-2-yl]carbamate has a molecular weight of 382.40 g/mol, XLogP of 3.54, 4 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-[(2S)-butan-2-yl]carbamate is sourced from PubChem (CID 126597591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).