methyl 3-[6-(4-morpholin-4-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoate

C20H22N4O3 — CID 90736361

IUPACmethyl 3-[6-(4-morpholin-4-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoate
SMILESCOC(=O)CCc1c(-c2ccc(N3CCOCC3)cc2)[nH]c2nccnc12
InChIInChI=1S/C20H22N4O3/c1-26-17(25)7-6-16-18(23-20-19(16)21-8-9-22-20)14-2-4-15(5-3-14)24-10-12-27-13-11-24/h2-5,8-9H,6-7,10-13H2,1H3,(H,22,23)
InChIKeyBTDXIVPZPLYPDV-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.57
Rot. Bonds5

About methyl 3-[6-(4-morpholin-4-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoate

methyl 3-[6-(4-morpholin-4-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoate (PubChem CID 90736361) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is methyl 3-[6-(4-morpholin-4-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[6-(4-morpholin-4-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoate
PubChem CID90736361
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Namemethyl 3-[6-(4-morpholin-4-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoate
SMILESCOC(=O)CCc1c(-c2ccc(N3CCOCC3)cc2)[nH]c2nccnc12
InChIInChI=1S/C20H22N4O3/c1-26-17(25)7-6-16-18(23-20-19(16)21-8-9-22-20)14-2-4-15(5-3-14)24-10-12-27-13-11-24/h2-5,8-9H,6-7,10-13H2,1H3,(H,22,23)
InChIKeyBTDXIVPZPLYPDV-UHFFFAOYSA-N
XLogP2.57
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

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3-(2-methoxy-5-morpholin-4-ylphenyl)propanoic acid
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1-(2-methoxy-6-morpholin-4-ylbenzimidazol-1-yl)-5-(1,3-thiazol-2-yl)pentan-1-one
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1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-yl-4-pyridinyl)propan-1-one
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1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
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Frequently Asked Questions

What is the IUPAC name of methyl 3-[6-(4-morpholin-4-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoate?
The IUPAC name of methyl 3-[6-(4-morpholin-4-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoate (CID 90736361) is methyl 3-[6-(4-morpholin-4-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoate.
What is the SMILES notation for methyl 3-[6-(4-morpholin-4-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoate?
The canonical SMILES for methyl 3-[6-(4-morpholin-4-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoate is COC(=O)CCc1c(-c2ccc(N3CCOCC3)cc2)[nH]c2nccnc12.
What is the InChIKey of methyl 3-[6-(4-morpholin-4-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoate?
The InChIKey is BTDXIVPZPLYPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-26-17(25)7-6-16-18(23-20-19(16)21-8-9-22-20)14-2-4-15(5-3-14)24-10-12-27-13-11-24/h2-5,8-9H,6-7,10-13H2,1H3,(H,22,23).
What are the key properties of methyl 3-[6-(4-morpholin-4-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoate?
methyl 3-[6-(4-morpholin-4-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoate has a molecular weight of 366.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[6-(4-morpholin-4-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoate is sourced from PubChem (CID 90736361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).