3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[8-[(1R)-1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]methanone

C28H32F2N6O2 — CID 129030123

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[8-[(1R)-1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]methanone
SMILESC[C@@H](Nc1ccc(F)c(F)c1)c1cc(C(=O)N2CCN3CCCC3C2)cc2ncc(N3CCOCC3)nc12
InChIInChI=1S/C28H32F2N6O2/c1-18(32-20-4-5-23(29)24(30)15-20)22-13-19(28(37)36-8-7-34-6-2-3-21(34)17-36)14-25-27(22)33-26(16-31-25)35-9-11-38-12-10-35/h4-5,13-16,18,21,32H,2-3,6-12,17H2,1H3/t18-,21?/m1/s1
InChIKeyGJUDQTTXFOORFP-ITUIMRKVSA-N
MW522.60 g/mol
LogP3.84
Rot. Bonds5

About 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[8-[(1R)-1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]methanone

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[8-[(1R)-1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]methanone (PubChem CID 129030123) has the molecular formula C28H32F2N6O2 and a molecular weight of 522.60 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[8-[(1R)-1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]methanone.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[8-[(1R)-1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]methanone
PubChem CID129030123
Molecular FormulaC28H32F2N6O2
Molecular Weight522.60 g/mol
Exact Mass522.26
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[8-[(1R)-1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]methanone
SMILESC[C@@H](Nc1ccc(F)c(F)c1)c1cc(C(=O)N2CCN3CCCC3C2)cc2ncc(N3CCOCC3)nc12
InChIInChI=1S/C28H32F2N6O2/c1-18(32-20-4-5-23(29)24(30)15-20)22-13-19(28(37)36-8-7-34-6-2-3-21(34)17-36)14-25-27(22)33-26(16-31-25)35-9-11-38-12-10-35/h4-5,13-16,18,21,32H,2-3,6-12,17H2,1H3/t18-,21?/m1/s1
InChIKeyGJUDQTTXFOORFP-ITUIMRKVSA-N
XLogP3.84
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.60
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[8-[(1R)-1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[8-[1-(3-fluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 129030553
methyl 8-[1-(3-fluoro-4-methylanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 129029975
tert-butyl (2R)-2-[[[8-[1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxaline-6-carbonyl]amino]methyl]pyrrolidine-1-carboxylate
CID 129030458
[8-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 129030423
tris([8-[1-(3,4-difluorophenoxy)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone);sulfane
CID 160927499
[8-[1-(3,4-difluorophenoxy)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]-[(3S)-3-ethylpyrrolidin-1-yl]methanone;methane;sulfane
CID 158607211
9-[1-(3,4-difluoroanilino)ethyl]-7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 174237324
methyl 8-[1-[(5-fluoro-3-pyridinyl)amino]ethyl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 142439976
8-[1-(3,5-difluoroanilino)ethyl]-N-[2-(dimethylamino)ethyl]-N-methyl-2-morpholin-4-ylquinoxaline-6-carboxamide;ethane
CID 145289333
methyl 8-[1-(3,4-difluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-ylquinoxaline-6-carboxylate
CID 129030318
methyl 9-[1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate
CID 164600713
3,5-difluoro-N-[1-[7-[(3-methoxypyrrolidin-1-yl)methyl]-3-morpholin-4-ylquinoxalin-5-yl]ethyl]aniline
CID 166839869

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[8-[(1R)-1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]methanone?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[8-[(1R)-1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]methanone (CID 129030123) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[8-[(1R)-1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]methanone.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[8-[(1R)-1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]methanone?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[8-[(1R)-1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]methanone is C[C@@H](Nc1ccc(F)c(F)c1)c1cc(C(=O)N2CCN3CCCC3C2)cc2ncc(N3CCOCC3)nc12.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[8-[(1R)-1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]methanone?
The InChIKey is GJUDQTTXFOORFP-ITUIMRKVSA-N. The full InChI is InChI=1S/C28H32F2N6O2/c1-18(32-20-4-5-23(29)24(30)15-20)22-13-19(28(37)36-8-7-34-6-2-3-21(34)17-36)14-25-27(22)33-26(16-31-25)35-9-11-38-12-10-35/h4-5,13-16,18,21,32H,2-3,6-12,17H2,1H3/t18-,21?/m1/s1.
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[8-[(1R)-1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]methanone?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[8-[(1R)-1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]methanone has a molecular weight of 522.60 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[8-[(1R)-1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-ylquinoxalin-6-yl]methanone is sourced from PubChem (CID 129030123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).