[2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-cyclopentylcarbamate

C20H19ClN6O2 — CID 126597941

About [2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-cyclopentylcarbamate

[2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-cyclopentylcarbamate (PubChem CID 126597941) has the molecular formula C20H19ClN6O2 and a molecular weight of 410.87 g/mol. Its IUPAC name is [2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-cyclopentylcarbamate.

Molecular Properties

• Compound Name: [2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-cyclopentylcarbamate
• PubChem CID: 126597941
• Molecular Formula: C20H19ClN6O2
• Molecular Weight: 410.87 g/mol
• Exact Mass: 410.13
• IUPAC Name: [2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-cyclopentylcarbamate
• SMILES: Cn1nc(-c2cnc3[nH]cc(OC(=O)NC4CCCC4)c3n2)c2ccc(Cl)cc21
• InChI: InChI=1S/C20H19ClN6O2/c1-27-15-8-11(21)6-7-13(15)17(26-27)14-9-22-19-18(25-14)16(10-23-19)29-20(28)24-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,22,23)(H,24,28)
• InChIKey: ICKLCFFKKNRLJW-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 97.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.87
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-cyclopentylcarbamate (CID 126597941) is [2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-cyclopentylcarbamate.

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

The canonical SMILES for [2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-cyclopentylcarbamate is Cn1nc(-c2cnc3[nH]cc(OC(=O)NC4CCCC4)c3n2)c2ccc(Cl)cc21.

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

The InChIKey is ICKLCFFKKNRLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O2/c1-27-15-8-11(21)6-7-13(15)17(26-27)14-9-22-19-18(25-14)16(10-23-19)29-20(28)24-12-4-2-3-5-12/h6-10,12H,2-5H2,1H3,(H,22,23)(H,24,28).

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

[2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-cyclopentylcarbamate has a molecular weight of 410.87 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-cyclopentylcarbamate is sourced from PubChem (CID 126597941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).