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

IUPACmethyl N-[3-[6-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-3-[(3S)-oxolan-3-yl]oxypyrazin-2-yl]propyl]carbamate
SMILESCOC(=O)NCCCc1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cnc1O[C@H]1CCOC1
InChIInChI=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
InChIKeyZYBAPXBSJONTRY-OXFYSEKESA-N
MW477.56 g/mol
LogP0.97
Rot. Bonds10

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 Namemethyl N-[3-[6-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-3-[(3S)-oxolan-3-yl]oxypyrazin-2-yl]propyl]carbamate
PubChem CID118313840
Molecular FormulaC23H35N5O6
Molecular Weight477.56 g/mol
Exact Mass477.26
IUPAC Namemethyl N-[3-[6-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-3-[(3S)-oxolan-3-yl]oxypyrazin-2-yl]propyl]carbamate
SMILESCOC(=O)NCCCc1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cnc1O[C@H]1CCOC1
InChIInChI=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
InChIKeyZYBAPXBSJONTRY-OXFYSEKESA-N
XLogP0.97
TPSA124.14 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).