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

C28H45N5O4 — CID 145264653

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

ethane;N-[[2-[4-ethyl-2-(2-methylpropanoylamino)phenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]oxetane-2-carboxamide (PubChem CID 145264653) has the molecular formula C28H45N5O4 and a molecular weight of 515.70 g/mol. Its IUPAC name is ethane;N-[[2-[4-ethyl-2-(2-methylpropanoylamino)phenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]oxetane-2-carboxamide.

Molecular Properties

• Compound Name: ethane;N-[[2-[4-ethyl-2-(2-methylpropanoylamino)phenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]oxetane-2-carboxamide
• PubChem CID: 145264653
• Molecular Formula: C28H45N5O4
• Molecular Weight: 515.70 g/mol
• Exact Mass: 515.35
• IUPAC Name: ethane;N-[[2-[4-ethyl-2-(2-methylpropanoylamino)phenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]oxetane-2-carboxamide
• SMILES: CC.CC.CCc1ccc(C2C=C3C(=O)N(CNC(=O)C4CCO4)CC(C)N3N2)c(NC(=O)C(C)C)c1
• InChI: InChI=1S/C24H33N5O4.2C2H6/c1-5-16-6-7-17(18(10-16)26-22(30)14(2)3)19-11-20-24(32)28(12-15(4)29(20)27-19)13-25-23(31)21-8-9-33-21;2*1-2/h6-7,10-11,14-15,19,21,27H,5,8-9,12-13H2,1-4H3,(H,25,31)(H,26,30);2*1-2H3
• InChIKey: GYVLOFBYBMRAEY-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 103.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.70
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of ethane;N-[[2-[4-ethyl-2-(2-methylpropanoylamino)phenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]oxetane-2-carboxamide (CID 145264653) is ethane;N-[[2-[4-ethyl-2-(2-methylpropanoylamino)phenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]oxetane-2-carboxamide.

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

The canonical SMILES for ethane;N-[[2-[4-ethyl-2-(2-methylpropanoylamino)phenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]oxetane-2-carboxamide is CC.CC.CCc1ccc(C2C=C3C(=O)N(CNC(=O)C4CCO4)CC(C)N3N2)c(NC(=O)C(C)C)c1.

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

The InChIKey is GYVLOFBYBMRAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4.2C2H6/c1-5-16-6-7-17(18(10-16)26-22(30)14(2)3)19-11-20-24(32)28(12-15(4)29(20)27-19)13-25-23(31)21-8-9-33-21;2*1-2/h6-7,10-11,14-15,19,21,27H,5,8-9,12-13H2,1-4H3,(H,25,31)(H,26,30);2*1-2H3.

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

ethane;N-[[2-[4-ethyl-2-(2-methylpropanoylamino)phenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]oxetane-2-carboxamide has a molecular weight of 515.70 g/mol, XLogP of 3.73, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-[[2-[4-ethyl-2-(2-methylpropanoylamino)phenyl]-7-methyl-4-oxo-1,2,6,7-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]methyl]oxetane-2-carboxamide is sourced from PubChem (CID 145264653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).