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

C26H31FN6O3 — CID 78012344

IUPAC2-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
SMILESCC(C)(F)C(=O)N1CCOC(CNc2nc(-c3ccc(N4CCOCC4)cc3)cc3nccnc23)C1
InChIInChI=1S/C26H31FN6O3/c1-26(2,27)25(34)33-11-14-36-20(17-33)16-30-24-23-22(28-7-8-29-23)15-21(31-24)18-3-5-19(6-4-18)32-9-12-35-13-10-32/h3-8,15,20H,9-14,16-17H2,1-2H3,(H,30,31)
InChIKeyGANBFWBEVXBAHK-UHFFFAOYSA-N
MW494.57 g/mol
LogP2.92
Rot. Bonds6

About 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

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 (PubChem CID 78012344) has the molecular formula C26H31FN6O3 and a molecular weight of 494.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID78012344
Molecular FormulaC26H31FN6O3
Molecular Weight494.57 g/mol
Exact Mass494.24
IUPAC Name2-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
SMILESCC(C)(F)C(=O)N1CCOC(CNc2nc(-c3ccc(N4CCOCC4)cc3)cc3nccnc23)C1
InChIInChI=1S/C26H31FN6O3/c1-26(2,27)25(34)33-11-14-36-20(17-33)16-30-24-23-22(28-7-8-29-23)15-21(31-24)18-3-5-19(6-4-18)32-9-12-35-13-10-32/h3-8,15,20H,9-14,16-17H2,1-2H3,(H,30,31)
InChIKeyGANBFWBEVXBAHK-UHFFFAOYSA-N
XLogP2.92
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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
2-fluoro-1-[2-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone
CID 78012352
1-[(2R)-2-[[[7-[4-(4-acetylpiperazin-1-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]-2,2-difluoroethanone
CID 90126648
1-[(2R)-2-[[[7-[4-(4-ethylpiperazin-1-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]-2,2-difluoroethanone
CID 71113923
1-[2-[[[7-[4-(4-ethylpiperazin-1-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]-2,2-difluoroethanone
CID 78012389
2,2-difluoro-1-[(2R)-2-[[[7-(3-methyl-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone
CID 71113849
(2R)-2-[[[7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholine-4-carboxamide
CID 71113817
tert-butyl 3-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxylate
CID 71113692
2,2-difluoro-1-[2-[[[7-[4-(methylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone
CID 78012356
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(F)C(=O)N1CCOC(CNc2nc(-c3ccc(N4CCOCC4)cc3)cc3nccnc23)C1.
What is the InChIKey of 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?
The InChIKey is GANBFWBEVXBAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O3/c1-26(2,27)25(34)33-11-14-36-20(17-33)16-30-24-23-22(28-7-8-29-23)15-21(31-24)18-3-5-19(6-4-18)32-9-12-35-13-10-32/h3-8,15,20H,9-14,16-17H2,1-2H3,(H,30,31).
What are the key properties of 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?
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 has a molecular weight of 494.57 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 78012344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).