1-[2-[[7-[4-(1-hydroxycyclobutyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone

C24H26N4O4 — CID 123621934

IUPAC1-[2-[[7-[4-(1-hydroxycyclobutyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(COc2nc(-c3ccc(C4(O)CCC4)cc3)cc3nccnc23)C1
InChIInChI=1S/C24H26N4O4/c1-16(29)28-11-12-31-19(14-28)15-32-23-22-21(25-9-10-26-22)13-20(27-23)17-3-5-18(6-4-17)24(30)7-2-8-24/h3-6,9-10,13,19,30H,2,7-8,11-12,14-15H2,1H3
InChIKeyQIXNSDSZZWAVMT-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.69
Rot. Bonds5

About 1-[2-[[7-[4-(1-hydroxycyclobutyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone

1-[2-[[7-[4-(1-hydroxycyclobutyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone (PubChem CID 123621934) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 1-[2-[[7-[4-(1-hydroxycyclobutyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[[7-[4-(1-hydroxycyclobutyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone
PubChem CID123621934
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name1-[2-[[7-[4-(1-hydroxycyclobutyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(COc2nc(-c3ccc(C4(O)CCC4)cc3)cc3nccnc23)C1
InChIInChI=1S/C24H26N4O4/c1-16(29)28-11-12-31-19(14-28)15-32-23-22-21(25-9-10-26-22)13-20(27-23)17-3-5-18(6-4-17)24(30)7-2-8-24/h3-6,9-10,13,19,30H,2,7-8,11-12,14-15H2,1H3
InChIKeyQIXNSDSZZWAVMT-UHFFFAOYSA-N
XLogP2.69
TPSA97.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone
CID 75202898
1-[2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone
CID 129178700
2-[4-[4-[5-[[(2S)-4-acetylmorpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]acetaldehyde
CID 134348269
1-[(2S)-2-[[7-[4-(dimethylamino)-3,5-dimethylphenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone
CID 118633257
1-[2-[[7-[4-(dimethylamino)-3-fluorophenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone
CID 129178702
(2S)-2-[[7-(4-tert-butylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide
CID 118633318
(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-N-methylmorpholine-4-carboxamide
CID 118474575
(2,2-difluorocyclopropyl)-[(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]methanone
CID 90213354
(2S)-2-[[7-[4-[(2R)-2-hydroxypropyl]phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide
CID 134348294
(2S)-2-[[7-(1,1-dimethyl-3H-2-benzofuran-5-yl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide
CID 90213304
[(2S)-2-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]-(4-hydroxycyclohexyl)methanone;methane;sulfane
CID 160813289
(2S)-2-[[7-[3-chloro-4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine-4-carboxamide;sulfane
CID 158925871

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[7-[4-(1-hydroxycyclobutyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone?
The IUPAC name of 1-[2-[[7-[4-(1-hydroxycyclobutyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone (CID 123621934) is 1-[2-[[7-[4-(1-hydroxycyclobutyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[2-[[7-[4-(1-hydroxycyclobutyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone?
The canonical SMILES for 1-[2-[[7-[4-(1-hydroxycyclobutyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone is CC(=O)N1CCOC(COc2nc(-c3ccc(C4(O)CCC4)cc3)cc3nccnc23)C1.
What is the InChIKey of 1-[2-[[7-[4-(1-hydroxycyclobutyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone?
The InChIKey is QIXNSDSZZWAVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-16(29)28-11-12-31-19(14-28)15-32-23-22-21(25-9-10-26-22)13-20(27-23)17-3-5-18(6-4-17)24(30)7-2-8-24/h3-6,9-10,13,19,30H,2,7-8,11-12,14-15H2,1H3.
What are the key properties of 1-[2-[[7-[4-(1-hydroxycyclobutyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone?
1-[2-[[7-[4-(1-hydroxycyclobutyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone has a molecular weight of 434.50 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[7-[4-(1-hydroxycyclobutyl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 123621934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).