3-[(3R)-3-methylmorpholin-4-yl]-1-(1-methylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazin-2-one

C22H28N6O2 — CID 164520884

IUPAC3-[(3R)-3-methylmorpholin-4-yl]-1-(1-methylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazin-2-one
SMILESC[C@@H]1COCCN1c1nc(-c2ccnc3[nH]ccc23)cn(C2CCN(C)CC2)c1=O
InChIInChI=1S/C22H28N6O2/c1-15-14-30-12-11-27(15)21-22(29)28(16-5-9-26(2)10-6-16)13-19(25-21)17-3-7-23-20-18(17)4-8-24-20/h3-4,7-8,13,15-16H,5-6,9-12,14H2,1-2H3,(H,23,24)/t15-/m1/s1
InChIKeyXTQRUFGXSMNLHE-OAHLLOKOSA-N
MW408.51 g/mol
LogP2.28
Rot. Bonds3

About 3-[(3R)-3-methylmorpholin-4-yl]-1-(1-methylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazin-2-one

3-[(3R)-3-methylmorpholin-4-yl]-1-(1-methylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazin-2-one (PubChem CID 164520884) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 3-[(3R)-3-methylmorpholin-4-yl]-1-(1-methylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-methylmorpholin-4-yl]-1-(1-methylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazin-2-one
PubChem CID164520884
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name3-[(3R)-3-methylmorpholin-4-yl]-1-(1-methylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazin-2-one
SMILESC[C@@H]1COCCN1c1nc(-c2ccnc3[nH]ccc23)cn(C2CCN(C)CC2)c1=O
InChIInChI=1S/C22H28N6O2/c1-15-14-30-12-11-27(15)21-22(29)28(16-5-9-26(2)10-6-16)13-19(25-21)17-3-7-23-20-18(17)4-8-24-20/h3-4,7-8,13,15-16H,5-6,9-12,14H2,1-2H3,(H,23,24)/t15-/m1/s1
InChIKeyXTQRUFGXSMNLHE-OAHLLOKOSA-N
XLogP2.28
TPSA79.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine
CID 139406117
(3R)-4-[6-[5-methoxy-1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 155376249
(3R)-3-methyl-4-[6-[3-methyl-1-(1-methylpiperidin-4-yl)-5-(trifluoromethyl)pyrazol-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine
CID 155376248
(6R)-6-imino-7,7-dimethyl-4-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5H-thieno[3,4-d]pyrimidine 6-oxide
CID 166663927
3-methyl-4-[6-(1-methylsulfanylpyrrolidin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine
CID 142533131
6-(3-methylmorpholin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine;methylsulfanylmethane
CID 142518022
3-methyl-4-[6-(6-methyl-1,2,6-thiadiazinan-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]morpholine
CID 142533087
5-methyl-2-[6-(3-methylmorpholin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-2,3-dihydrothiophene 1,1-dioxide
CID 137498314
(3R)-4-[6-(2-cyclohexylpyrazol-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;methane
CID 167562082
(3R)-3-methyl-4-[7-[[(3S)-3-methylmorpholin-4-yl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 164581572
(3R)-3-methyl-4-[7-pyridin-2-yl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 175865159
ethane;methanethiol;6-(3-methylmorpholin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-amine
CID 142518116

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-methylmorpholin-4-yl]-1-(1-methylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazin-2-one?
The IUPAC name of 3-[(3R)-3-methylmorpholin-4-yl]-1-(1-methylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazin-2-one (CID 164520884) is 3-[(3R)-3-methylmorpholin-4-yl]-1-(1-methylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazin-2-one.
What is the SMILES notation for 3-[(3R)-3-methylmorpholin-4-yl]-1-(1-methylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazin-2-one?
The canonical SMILES for 3-[(3R)-3-methylmorpholin-4-yl]-1-(1-methylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazin-2-one is C[C@@H]1COCCN1c1nc(-c2ccnc3[nH]ccc23)cn(C2CCN(C)CC2)c1=O.
What is the InChIKey of 3-[(3R)-3-methylmorpholin-4-yl]-1-(1-methylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazin-2-one?
The InChIKey is XTQRUFGXSMNLHE-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-15-14-30-12-11-27(15)21-22(29)28(16-5-9-26(2)10-6-16)13-19(25-21)17-3-7-23-20-18(17)4-8-24-20/h3-4,7-8,13,15-16H,5-6,9-12,14H2,1-2H3,(H,23,24)/t15-/m1/s1.
What are the key properties of 3-[(3R)-3-methylmorpholin-4-yl]-1-(1-methylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazin-2-one?
3-[(3R)-3-methylmorpholin-4-yl]-1-(1-methylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazin-2-one has a molecular weight of 408.51 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-methylmorpholin-4-yl]-1-(1-methylpiperidin-4-yl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazin-2-one is sourced from PubChem (CID 164520884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).