butan-2-yl N-[3-[3-[[2-(6-methoxypyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate

C20H28N6O4 — CID 169013946

About butan-2-yl N-[3-[3-[[2-(6-methoxypyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate

butan-2-yl N-[3-[3-[[2-(6-methoxypyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate (PubChem CID 169013946) has the molecular formula C20H28N6O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is butan-2-yl N-[3-[3-[[2-(6-methoxypyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate.

Molecular Properties

• Compound Name: butan-2-yl N-[3-[3-[[2-(6-methoxypyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
• PubChem CID: 169013946
• Molecular Formula: C20H28N6O4
• Molecular Weight: 416.48 g/mol
• Exact Mass: 416.22
• IUPAC Name: butan-2-yl N-[3-[3-[[2-(6-methoxypyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
• SMILES: CCC(C)OC(=O)NC1CCC(c2cc(NC(=O)Cc3cncc(OC)n3)n[nH]2)C1
• InChI: InChI=1S/C20H28N6O4/c1-4-12(2)30-20(28)23-14-6-5-13(7-14)16-9-17(26-25-16)24-18(27)8-15-10-21-11-19(22-15)29-3/h9-14H,4-8H2,1-3H3,(H,23,28)(H2,24,25,26,27)
• InChIKey: QZRMRIPHWWNSGW-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 131.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.48
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of butan-2-yl N-[3-[3-[[2-(6-methoxypyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate?

The IUPAC name of butan-2-yl N-[3-[3-[[2-(6-methoxypyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate (CID 169013946) is butan-2-yl N-[3-[3-[[2-(6-methoxypyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate.

What is the SMILES notation for butan-2-yl N-[3-[3-[[2-(6-methoxypyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate?

The canonical SMILES for butan-2-yl N-[3-[3-[[2-(6-methoxypyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate is CCC(C)OC(=O)NC1CCC(c2cc(NC(=O)Cc3cncc(OC)n3)n[nH]2)C1.

What is the InChIKey of butan-2-yl N-[3-[3-[[2-(6-methoxypyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate?

The InChIKey is QZRMRIPHWWNSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O4/c1-4-12(2)30-20(28)23-14-6-5-13(7-14)16-9-17(26-25-16)24-18(27)8-15-10-21-11-19(22-15)29-3/h9-14H,4-8H2,1-3H3,(H,23,28)(H2,24,25,26,27).

What are the key properties of butan-2-yl N-[3-[3-[[2-(6-methoxypyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate?

butan-2-yl N-[3-[3-[[2-(6-methoxypyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate has a molecular weight of 416.48 g/mol, XLogP of 2.55, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for butan-2-yl N-[3-[3-[[2-(6-methoxypyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate is sourced from PubChem (CID 169013946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).