2-(3-oxomorpholin-4-yl)ethyl N-[3-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate

C26H34N8O7 — CID 147800185

About 2-(3-oxomorpholin-4-yl)ethyl N-[3-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate

2-(3-oxomorpholin-4-yl)ethyl N-[3-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate (PubChem CID 147800185) has the molecular formula C26H34N8O7 and a molecular weight of 570.61 g/mol. Its IUPAC name is 2-(3-oxomorpholin-4-yl)ethyl N-[3-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate.

Molecular Properties

• Compound Name: 2-(3-oxomorpholin-4-yl)ethyl N-[3-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate
• PubChem CID: 147800185
• Molecular Formula: C26H34N8O7
• Molecular Weight: 570.61 g/mol
• Exact Mass: 570.26
• IUPAC Name: 2-(3-oxomorpholin-4-yl)ethyl N-[3-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate
• SMILES: CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCCN1CCOCC1=O
• InChI: InChI=1S/C26H34N8O7/c1-4-34-19(12-16(2)31-34)24(37)30-25-29-18-13-17(23(27)36)14-20(39-3)22(18)33(25)7-5-6-28-26(38)41-11-9-32-8-10-40-15-21(32)35/h12-14H,4-11,15H2,1-3H3,(H2,27,36)(H,28,38)(H,29,30,37)
• InChIKey: HLJGCMVNEVDDQS-UHFFFAOYSA-N
• XLogP: 0.90
• TPSA: 184.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.61
LogP ≤ 5	0.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxomorpholin-4-yl)ethyl N-[3-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate?

The IUPAC name of 2-(3-oxomorpholin-4-yl)ethyl N-[3-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate (CID 147800185) is 2-(3-oxomorpholin-4-yl)ethyl N-[3-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate.

What is the SMILES notation for 2-(3-oxomorpholin-4-yl)ethyl N-[3-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate?

The canonical SMILES for 2-(3-oxomorpholin-4-yl)ethyl N-[3-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate is CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCCN1CCOCC1=O.

What is the InChIKey of 2-(3-oxomorpholin-4-yl)ethyl N-[3-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate?

The InChIKey is HLJGCMVNEVDDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O7/c1-4-34-19(12-16(2)31-34)24(37)30-25-29-18-13-17(23(27)36)14-20(39-3)22(18)33(25)7-5-6-28-26(38)41-11-9-32-8-10-40-15-21(32)35/h12-14H,4-11,15H2,1-3H3,(H2,27,36)(H,28,38)(H,29,30,37).

What are the key properties of 2-(3-oxomorpholin-4-yl)ethyl N-[3-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate?

2-(3-oxomorpholin-4-yl)ethyl N-[3-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate has a molecular weight of 570.61 g/mol, XLogP of 0.90, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-oxomorpholin-4-yl)ethyl N-[3-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]propyl]carbamate is sourced from PubChem (CID 147800185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).