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

C21H21FN6O4 — CID 126597875

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

[2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate (PubChem CID 126597875) has the molecular formula C21H21FN6O4 and a molecular weight of 440.44 g/mol. Its IUPAC name is [2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate.

Molecular Properties

• Compound Name: [2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate
• PubChem CID: 126597875
• Molecular Formula: C21H21FN6O4
• Molecular Weight: 440.44 g/mol
• Exact Mass: 440.16
• IUPAC Name: [2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate
• SMILES: COC[C@H](C)NC(=O)Oc1c[nH]c2ncc(-c3nn(C4COC4)c4cc(F)ccc34)nc12
• InChI: InChI=1S/C21H21FN6O4/c1-11(8-30-2)25-21(29)32-17-7-24-20-19(17)26-15(6-23-20)18-14-4-3-12(22)5-16(14)28(27-18)13-9-31-10-13/h3-7,11,13H,8-10H2,1-2H3,(H,23,24)(H,25,29)/t11-/m0/s1
• InChIKey: FBTXFZAWOLTVDL-NSHDSACASA-N
• XLogP: 2.81
• TPSA: 116.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.44
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate?

The IUPAC name of [2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate (CID 126597875) is [2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate.

What is the SMILES notation for [2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate?

The canonical SMILES for [2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate is COC[C@H](C)NC(=O)Oc1c[nH]c2ncc(-c3nn(C4COC4)c4cc(F)ccc34)nc12.

What is the InChIKey of [2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate?

The InChIKey is FBTXFZAWOLTVDL-NSHDSACASA-N. The full InChI is InChI=1S/C21H21FN6O4/c1-11(8-30-2)25-21(29)32-17-7-24-20-19(17)26-15(6-23-20)18-14-4-3-12(22)5-16(14)28(27-18)13-9-31-10-13/h3-7,11,13H,8-10H2,1-2H3,(H,23,24)(H,25,29)/t11-/m0/s1.

What are the key properties of [2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate?

[2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate has a molecular weight of 440.44 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-methoxypropan-2-yl]carbamate is sourced from PubChem (CID 126597875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).