methyl N-[3-[6-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-3-[(3S)-oxolan-3-yl]oxypyrazin-2-yl]propyl]carbamate

C23H35N5O6 — CID 118313840

About methyl N-[3-[6-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-3-[(3S)-oxolan-3-yl]oxypyrazin-2-yl]propyl]carbamate

methyl N-[3-[6-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-3-[(3S)-oxolan-3-yl]oxypyrazin-2-yl]propyl]carbamate (PubChem CID 118313840) has the molecular formula C23H35N5O6 and a molecular weight of 477.56 g/mol. Its IUPAC name is methyl N-[3-[6-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-3-[(3S)-oxolan-3-yl]oxypyrazin-2-yl]propyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[3-[6-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-3-[(3S)-oxolan-3-yl]oxypyrazin-2-yl]propyl]carbamate
• PubChem CID: 118313840
• Molecular Formula: C23H35N5O6
• Molecular Weight: 477.56 g/mol
• Exact Mass: 477.26
• IUPAC Name: methyl N-[3-[6-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-3-[(3S)-oxolan-3-yl]oxypyrazin-2-yl]propyl]carbamate
• SMILES: COC(=O)NCCCc1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cnc1O[C@H]1CCOC1
• InChI: InChI=1S/C23H35N5O6/c1-15(28(16-5-6-16)22(29)20-13-24-9-11-33-20)19-12-26-21(34-17-7-10-32-14-17)18(27-19)4-3-8-25-23(30)31-2/h12,15-17,20,24H,3-11,13-14H2,1-2H3,(H,25,30)/t15-,17+,20-/m1/s1
• InChIKey: ZYBAPXBSJONTRY-OXFYSEKESA-N
• XLogP: 0.97
• TPSA: 124.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.56
LogP ≤ 5	0.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[6-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-3-[(3S)-oxolan-3-yl]oxypyrazin-2-yl]propyl]carbamate?

The IUPAC name of methyl N-[3-[6-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-3-[(3S)-oxolan-3-yl]oxypyrazin-2-yl]propyl]carbamate (CID 118313840) is methyl N-[3-[6-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-3-[(3S)-oxolan-3-yl]oxypyrazin-2-yl]propyl]carbamate.

What is the SMILES notation for methyl N-[3-[6-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-3-[(3S)-oxolan-3-yl]oxypyrazin-2-yl]propyl]carbamate?

The canonical SMILES for methyl N-[3-[6-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-3-[(3S)-oxolan-3-yl]oxypyrazin-2-yl]propyl]carbamate is COC(=O)NCCCc1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cnc1O[C@H]1CCOC1.

What is the InChIKey of methyl N-[3-[6-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-3-[(3S)-oxolan-3-yl]oxypyrazin-2-yl]propyl]carbamate?

The InChIKey is ZYBAPXBSJONTRY-OXFYSEKESA-N. The full InChI is InChI=1S/C23H35N5O6/c1-15(28(16-5-6-16)22(29)20-13-24-9-11-33-20)19-12-26-21(34-17-7-10-32-14-17)18(27-19)4-3-8-25-23(30)31-2/h12,15-17,20,24H,3-11,13-14H2,1-2H3,(H,25,30)/t15-,17+,20-/m1/s1.

What are the key properties of methyl N-[3-[6-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-3-[(3S)-oxolan-3-yl]oxypyrazin-2-yl]propyl]carbamate?

methyl N-[3-[6-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-3-[(3S)-oxolan-3-yl]oxypyrazin-2-yl]propyl]carbamate has a molecular weight of 477.56 g/mol, XLogP of 0.97, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[3-[6-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-3-[(3S)-oxolan-3-yl]oxypyrazin-2-yl]propyl]carbamate is sourced from PubChem (CID 118313840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).