3-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]propan-1-ol

C20H23N5O2 — CID 71113456

IUPAC3-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]propan-1-ol
SMILESOCCCNc1nc(-c2ccc(N3CCOCC3)cc2)cc2nccnc12
InChIInChI=1S/C20H23N5O2/c26-11-1-6-23-20-19-18(21-7-8-22-19)14-17(24-20)15-2-4-16(5-3-15)25-9-12-27-13-10-25/h2-5,7-8,14,26H,1,6,9-13H2,(H,23,24)
InChIKeyBZVUJSRJVFWURP-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.32
Rot. Bonds6

About 3-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]propan-1-ol

3-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]propan-1-ol (PubChem CID 71113456) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]propan-1-ol
PubChem CID71113456
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name3-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]propan-1-ol
SMILESOCCCNc1nc(-c2ccc(N3CCOCC3)cc2)cc2nccnc12
InChIInChI=1S/C20H23N5O2/c26-11-1-6-23-20-19-18(21-7-8-22-19)14-17(24-20)15-2-4-16(5-3-15)25-9-12-27-13-10-25/h2-5,7-8,14,26H,1,6,9-13H2,(H,23,24)
InChIKeyBZVUJSRJVFWURP-UHFFFAOYSA-N
XLogP2.32
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]propan-1-ol with MolForge

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Related Compounds

1-[(2R)-2-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone
CID 71113527
N-methyl-2-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholine-4-carboxamide
CID 78012348
N-[(3-methylpiperidin-4-yl)methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
CID 123975040
2-fluoro-1-[2-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone
CID 78012352
2-fluoro-2-methyl-1-[(2R)-2-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]propan-1-one
CID 71113795
2-fluoro-2-methyl-1-[2-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]propan-1-one
CID 78012344
tert-butyl 3-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxylate
CID 71113692
N-(morpholin-2-ylmethyl)-7-(4-piperazin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
CID 163569241
2-[1-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-yl]oxyethanol
CID 78012294
(3S)-1-[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]pyrrolidine-3-carboxylic acid
CID 71113836
tert-butyl 3,3-difluoro-5-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxylate
CID 71113804
2-[1-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-yl]oxyethanol;sulfane
CID 159877071

Frequently Asked Questions

What is the IUPAC name of 3-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]propan-1-ol?
The IUPAC name of 3-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]propan-1-ol (CID 71113456) is 3-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]propan-1-ol is OCCCNc1nc(-c2ccc(N3CCOCC3)cc2)cc2nccnc12.
What is the InChIKey of 3-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]propan-1-ol?
The InChIKey is BZVUJSRJVFWURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c26-11-1-6-23-20-19-18(21-7-8-22-19)14-17(24-20)15-2-4-16(5-3-15)25-9-12-27-13-10-25/h2-5,7-8,14,26H,1,6,9-13H2,(H,23,24).
What are the key properties of 3-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]propan-1-ol?
3-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]propan-1-ol has a molecular weight of 365.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]propan-1-ol is sourced from PubChem (CID 71113456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).