ethane;methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate

C26H44N6O4 — CID 145264675

About ethane;methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate

ethane;methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate (PubChem CID 145264675) has the molecular formula C26H44N6O4 and a molecular weight of 504.68 g/mol. Its IUPAC name is ethane;methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate.

Molecular Properties

• Compound Name: ethane;methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate
• PubChem CID: 145264675
• Molecular Formula: C26H44N6O4
• Molecular Weight: 504.68 g/mol
• Exact Mass: 504.34
• IUPAC Name: ethane;methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate
• SMILES: CC.CC.CNCc1ccc(C2C=C3C(=O)N(CNC(=O)OC)CC(C)N3N2)c(NC(=O)C(C)C)c1
• InChI: InChI=1S/C22H32N6O4.2C2H6/c1-13(2)20(29)25-17-8-15(10-23-4)6-7-16(17)18-9-19-21(30)27(12-24-22(31)32-5)11-14(3)28(19)26-18;2*1-2/h6-9,13-14,18,23,26H,10-12H2,1-5H3,(H,24,31)(H,25,29);2*1-2H3
• InChIKey: NAJJWABOMARWHZ-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 115.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.68
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethane;methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate?

The IUPAC name of ethane;methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate (CID 145264675) is ethane;methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate.

What is the SMILES notation for ethane;methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate?

The canonical SMILES for ethane;methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate is CC.CC.CNCc1ccc(C2C=C3C(=O)N(CNC(=O)OC)CC(C)N3N2)c(NC(=O)C(C)C)c1.

What is the InChIKey of ethane;methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate?

The InChIKey is NAJJWABOMARWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O4.2C2H6/c1-13(2)20(29)25-17-8-15(10-23-4)6-7-16(17)18-9-19-21(30)27(12-24-22(31)32-5)11-14(3)28(19)26-18;2*1-2/h6-9,13-14,18,23,26H,10-12H2,1-5H3,(H,24,31)(H,25,29);2*1-2H3.

What are the key properties of ethane;methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate?

ethane;methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate has a molecular weight of 504.68 g/mol, XLogP of 3.34, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;methyl N-[[7-methyl-2-[4-(methylaminomethyl)-2-(2-methylpropanoylamino)phenyl]-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]carbamate is sourced from PubChem (CID 145264675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).