[2-(6-chloro-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate

C18H17ClN6O3 — CID 126597505

About [2-(6-chloro-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate

[2-(6-chloro-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate (PubChem CID 126597505) has the molecular formula C18H17ClN6O3 and a molecular weight of 400.83 g/mol. Its IUPAC name is [2-(6-chloro-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate.

Molecular Properties

• Compound Name: [2-(6-chloro-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate
• PubChem CID: 126597505
• Molecular Formula: C18H17ClN6O3
• Molecular Weight: 400.83 g/mol
• Exact Mass: 400.11
• IUPAC Name: [2-(6-chloro-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate
• SMILES: CC(C)(CO)NC(=O)Oc1c[nH]c2ncc(-c3n[nH]c4cc(Cl)ccc34)nc12
• InChI: InChI=1S/C18H17ClN6O3/c1-18(2,8-26)23-17(27)28-13-7-21-16-15(13)22-12(6-20-16)14-10-4-3-9(19)5-11(10)24-25-14/h3-7,26H,8H2,1-2H3,(H,20,21)(H,23,27)(H,24,25)
• InChIKey: ZYGALBMIZPKYKD-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 128.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.83
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-(6-chloro-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate?

The IUPAC name of [2-(6-chloro-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate (CID 126597505) is [2-(6-chloro-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate.

What is the SMILES notation for [2-(6-chloro-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate?

The canonical SMILES for [2-(6-chloro-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate is CC(C)(CO)NC(=O)Oc1c[nH]c2ncc(-c3n[nH]c4cc(Cl)ccc34)nc12.

What is the InChIKey of [2-(6-chloro-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate?

The InChIKey is ZYGALBMIZPKYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O3/c1-18(2,8-26)23-17(27)28-13-7-21-16-15(13)22-12(6-20-16)14-10-4-3-9(19)5-11(10)24-25-14/h3-7,26H,8H2,1-2H3,(H,20,21)(H,23,27)(H,24,25).

What are the key properties of [2-(6-chloro-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate?

[2-(6-chloro-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate has a molecular weight of 400.83 g/mol, XLogP of 3.01, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(6-chloro-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(1-hydroxy-2-methylpropan-2-yl)carbamate is sourced from PubChem (CID 126597505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).