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

C19H17F3N6O3 — CID 126597910

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

[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-(difluoromethoxy)propan-2-yl]carbamate (PubChem CID 126597910) has the molecular formula C19H17F3N6O3 and a molecular weight of 434.38 g/mol. Its IUPAC name is [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-(difluoromethoxy)propan-2-yl]carbamate.

Molecular Properties

• Compound Name: [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-(difluoromethoxy)propan-2-yl]carbamate
• PubChem CID: 126597910
• Molecular Formula: C19H17F3N6O3
• Molecular Weight: 434.38 g/mol
• Exact Mass: 434.13
• IUPAC Name: [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-(difluoromethoxy)propan-2-yl]carbamate
• SMILES: C[C@@H](COC(F)F)NC(=O)Oc1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12
• InChI: InChI=1S/C19H17F3N6O3/c1-9(8-30-18(21)22)25-19(29)31-14-7-24-17-16(14)26-12(6-23-17)15-11-4-3-10(20)5-13(11)28(2)27-15/h3-7,9,18H,8H2,1-2H3,(H,23,24)(H,25,29)/t9-/m0/s1
• InChIKey: WACJGZNSNSMOFN-VIFPVBQESA-N
• XLogP: 3.37
• TPSA: 106.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.38
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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)-1-(difluoromethoxy)propan-2-yl]carbamate?

The IUPAC name of [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-(difluoromethoxy)propan-2-yl]carbamate (CID 126597910) is [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-(difluoromethoxy)propan-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)-1-(difluoromethoxy)propan-2-yl]carbamate?

The canonical SMILES for [2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-(difluoromethoxy)propan-2-yl]carbamate is C[C@@H](COC(F)F)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)-1-(difluoromethoxy)propan-2-yl]carbamate?

The InChIKey is WACJGZNSNSMOFN-VIFPVBQESA-N. The full InChI is InChI=1S/C19H17F3N6O3/c1-9(8-30-18(21)22)25-19(29)31-14-7-24-17-16(14)26-12(6-23-17)15-11-4-3-10(20)5-13(11)28(2)27-15/h3-7,9,18H,8H2,1-2H3,(H,23,24)(H,25,29)/t9-/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)-1-(difluoromethoxy)propan-2-yl]carbamate?

[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-[(2S)-1-(difluoromethoxy)propan-2-yl]carbamate has a molecular weight of 434.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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)-1-(difluoromethoxy)propan-2-yl]carbamate is sourced from PubChem (CID 126597910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).