2,2-difluoro-1-[2-[[[7-[4-(methylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone

C21H22F2N6O2 — CID 78012356

IUPAC2,2-difluoro-1-[2-[[[7-[4-(methylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone
SMILESCNc1ccc(-c2cc3nccnc3c(NCC3CN(C(=O)C(F)F)CCO3)n2)cc1
InChIInChI=1S/C21H22F2N6O2/c1-24-14-4-2-13(3-5-14)16-10-17-18(26-7-6-25-17)20(28-16)27-11-15-12-29(8-9-31-15)21(30)19(22)23/h2-7,10,15,19,24H,8-9,11-12H2,1H3,(H,27,28)
InChIKeyMHNZLDQODFOAQC-UHFFFAOYSA-N
MW428.44 g/mol
LogP2.64
Rot. Bonds6

About 2,2-difluoro-1-[2-[[[7-[4-(methylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone

2,2-difluoro-1-[2-[[[7-[4-(methylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone (PubChem CID 78012356) has the molecular formula C21H22F2N6O2 and a molecular weight of 428.44 g/mol. Its IUPAC name is 2,2-difluoro-1-[2-[[[7-[4-(methylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-[2-[[[7-[4-(methylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone
PubChem CID78012356
Molecular FormulaC21H22F2N6O2
Molecular Weight428.44 g/mol
Exact Mass428.18
IUPAC Name2,2-difluoro-1-[2-[[[7-[4-(methylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone
SMILESCNc1ccc(-c2cc3nccnc3c(NCC3CN(C(=O)C(F)F)CCO3)n2)cc1
InChIInChI=1S/C21H22F2N6O2/c1-24-14-4-2-13(3-5-14)16-10-17-18(26-7-6-25-17)20(28-16)27-11-15-12-29(8-9-31-15)21(30)19(22)23/h2-7,10,15,19,24H,8-9,11-12H2,1H3,(H,27,28)
InChIKeyMHNZLDQODFOAQC-UHFFFAOYSA-N
XLogP2.64
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,2-difluoro-1-[2-[[[7-[4-(methylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

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
N-methyl-2-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholine-4-carboxamide
CID 78012348
1-[(2R)-2-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone
CID 71113527
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
2-fluoro-1-[2-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone
CID 78012352
tert-butyl 2-[[[7-[4-(2-methylsulfanylethoxy)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholine-4-carboxylate
CID 90107060
(2R)-2-[[[7-(3-fluoro-4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholine-4-carboxamide
CID 71113817
1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]ethanone
CID 71113562

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[2-[[[7-[4-(methylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone?
The IUPAC name of 2,2-difluoro-1-[2-[[[7-[4-(methylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone (CID 78012356) is 2,2-difluoro-1-[2-[[[7-[4-(methylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-1-[2-[[[7-[4-(methylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2,2-difluoro-1-[2-[[[7-[4-(methylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone is CNc1ccc(-c2cc3nccnc3c(NCC3CN(C(=O)C(F)F)CCO3)n2)cc1.
What is the InChIKey of 2,2-difluoro-1-[2-[[[7-[4-(methylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone?
The InChIKey is MHNZLDQODFOAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N6O2/c1-24-14-4-2-13(3-5-14)16-10-17-18(26-7-6-25-17)20(28-16)27-11-15-12-29(8-9-31-15)21(30)19(22)23/h2-7,10,15,19,24H,8-9,11-12H2,1H3,(H,27,28).
What are the key properties of 2,2-difluoro-1-[2-[[[7-[4-(methylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone?
2,2-difluoro-1-[2-[[[7-[4-(methylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone has a molecular weight of 428.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[2-[[[7-[4-(methylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 78012356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).