tert-butyl 4-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-4-methylpiperidine-1-carboxylate

C26H30FN7O3 — CID 71280124

About tert-butyl 4-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-4-methylpiperidine-1-carboxylate

tert-butyl 4-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-4-methylpiperidine-1-carboxylate (PubChem CID 71280124) has the molecular formula C26H30FN7O3 and a molecular weight of 507.57 g/mol. Its IUPAC name is tert-butyl 4-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-4-methylpiperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-4-methylpiperidine-1-carboxylate
• PubChem CID: 71280124
• Molecular Formula: C26H30FN7O3
• Molecular Weight: 507.57 g/mol
• Exact Mass: 507.24
• IUPAC Name: tert-butyl 4-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-4-methylpiperidine-1-carboxylate
• SMILES: Cn1nc(-c2cnc3[nH]cc(C(=O)NC4(C)CCN(C(=O)OC(C)(C)C)CC4)c3n2)c2ccc(F)cc21
• InChI: InChI=1S/C26H30FN7O3/c1-25(2,3)37-24(36)34-10-8-26(4,9-11-34)31-23(35)17-13-28-22-21(17)30-18(14-29-22)20-16-7-6-15(27)12-19(16)33(5)32-20/h6-7,12-14H,8-11H2,1-5H3,(H,28,29)(H,31,35)
• InChIKey: USYMWOYKIXBOAR-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 118.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.57
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-4-methylpiperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-4-methylpiperidine-1-carboxylate (CID 71280124) is tert-butyl 4-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-4-methylpiperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-4-methylpiperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-4-methylpiperidine-1-carboxylate is Cn1nc(-c2cnc3[nH]cc(C(=O)NC4(C)CCN(C(=O)OC(C)(C)C)CC4)c3n2)c2ccc(F)cc21.

What is the InChIKey of tert-butyl 4-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-4-methylpiperidine-1-carboxylate?

The InChIKey is USYMWOYKIXBOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7O3/c1-25(2,3)37-24(36)34-10-8-26(4,9-11-34)31-23(35)17-13-28-22-21(17)30-18(14-29-22)20-16-7-6-15(27)12-19(16)33(5)32-20/h6-7,12-14H,8-11H2,1-5H3,(H,28,29)(H,31,35).

What are the key properties of tert-butyl 4-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-4-methylpiperidine-1-carboxylate?

tert-butyl 4-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-4-methylpiperidine-1-carboxylate has a molecular weight of 507.57 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[[2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 71280124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).