4-(1-tert-butylpiperidin-4-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one;1H-pyrido[2,3-b][1,4]oxazine-2,3-dione

C24H30N6O5 — CID 160929911

IUPAC4-(1-tert-butylpiperidin-4-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one;1H-pyrido[2,3-b][1,4]oxazine-2,3-dione
SMILESCOc1ccc2c(n1)N(C1CCN(C(C)(C)C)CC1)C(=O)CN2.O=c1[nH]c2cccnc2oc1=O
InChIInChI=1S/C17H26N4O2.C7H4N2O3/c1-17(2,3)20-9-7-12(8-10-20)21-15(22)11-18-13-5-6-14(23-4)19-16(13)21;10-5-7(11)12-6-4(9-5)2-1-3-8-6/h5-6,12,18H,7-11H2,1-4H3;1-3H,(H,9,10)
InChIKeySTCXRDNDEZIKIL-UHFFFAOYSA-N
MW482.54 g/mol
LogP1.99
Rot. Bonds2

About 4-(1-tert-butylpiperidin-4-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one;1H-pyrido[2,3-b][1,4]oxazine-2,3-dione

4-(1-tert-butylpiperidin-4-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one;1H-pyrido[2,3-b][1,4]oxazine-2,3-dione (PubChem CID 160929911) has the molecular formula C24H30N6O5 and a molecular weight of 482.54 g/mol. Its IUPAC name is 4-(1-tert-butylpiperidin-4-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one;1H-pyrido[2,3-b][1,4]oxazine-2,3-dione.

Molecular Properties

Compound Name4-(1-tert-butylpiperidin-4-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one;1H-pyrido[2,3-b][1,4]oxazine-2,3-dione
PubChem CID160929911
Molecular FormulaC24H30N6O5
Molecular Weight482.54 g/mol
Exact Mass482.23
IUPAC Name4-(1-tert-butylpiperidin-4-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one;1H-pyrido[2,3-b][1,4]oxazine-2,3-dione
SMILESCOc1ccc2c(n1)N(C1CCN(C(C)(C)C)CC1)C(=O)CN2.O=c1[nH]c2cccnc2oc1=O
InChIInChI=1S/C17H26N4O2.C7H4N2O3/c1-17(2,3)20-9-7-12(8-10-20)21-15(22)11-18-13-5-6-14(23-4)19-16(13)21;10-5-7(11)12-6-4(9-5)2-1-3-8-6/h5-6,12,18H,7-11H2,1-4H3;1-3H,(H,9,10)
InChIKeySTCXRDNDEZIKIL-UHFFFAOYSA-N
XLogP1.99
TPSA133.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-(1-tert-butylpiperidin-4-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one;1H-pyrido[2,3-b][1,4]oxazine-2,3-dione with MolForge

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Related Compounds

(5R)-5-[[4-(6-methoxy-3-oxo-1,2-dihydropyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 142764078
5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 66716343
2-(4-tert-butylpiperazin-1-yl)-6-methoxypyridin-3-amine
CID 115320517
6-methoxy-4-(1-methylpiperidin-4-yl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
CID 175576452
3-[1-(3-methyl-2-pyridinyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121184009
3-(1-tert-butylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 59825914
6-methoxy-1-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrido[2,3-b]pyrazine-2,3-dione
CID 170600711
3-(1-cyclohexylpiperidin-4-yl)-5-methoxy-1H-imidazo[4,5-b]pyridin-2-one
CID 145484781
4-[(3-chloro-2-pyridinyl)-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinyl]methyl]morpholine
CID 69456723
4-ethyl-6-methoxy-2,3-dihydro-1H-pyrido[2,3-b]pyrazine
CID 115323647
3-cyclopropyl-1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]imidazolidine-2,4-dione
CID 154882570
4,12-dimethoxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one
CID 115323552

Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butylpiperidin-4-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one;1H-pyrido[2,3-b][1,4]oxazine-2,3-dione?
The IUPAC name of 4-(1-tert-butylpiperidin-4-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one;1H-pyrido[2,3-b][1,4]oxazine-2,3-dione (CID 160929911) is 4-(1-tert-butylpiperidin-4-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one;1H-pyrido[2,3-b][1,4]oxazine-2,3-dione.
What is the SMILES notation for 4-(1-tert-butylpiperidin-4-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one;1H-pyrido[2,3-b][1,4]oxazine-2,3-dione?
The canonical SMILES for 4-(1-tert-butylpiperidin-4-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one;1H-pyrido[2,3-b][1,4]oxazine-2,3-dione is COc1ccc2c(n1)N(C1CCN(C(C)(C)C)CC1)C(=O)CN2.O=c1[nH]c2cccnc2oc1=O.
What is the InChIKey of 4-(1-tert-butylpiperidin-4-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one;1H-pyrido[2,3-b][1,4]oxazine-2,3-dione?
The InChIKey is STCXRDNDEZIKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.C7H4N2O3/c1-17(2,3)20-9-7-12(8-10-20)21-15(22)11-18-13-5-6-14(23-4)19-16(13)21;10-5-7(11)12-6-4(9-5)2-1-3-8-6/h5-6,12,18H,7-11H2,1-4H3;1-3H,(H,9,10).
What are the key properties of 4-(1-tert-butylpiperidin-4-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one;1H-pyrido[2,3-b][1,4]oxazine-2,3-dione?
4-(1-tert-butylpiperidin-4-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one;1H-pyrido[2,3-b][1,4]oxazine-2,3-dione has a molecular weight of 482.54 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butylpiperidin-4-yl)-6-methoxy-1,2-dihydropyrido[2,3-b]pyrazin-3-one;1H-pyrido[2,3-b][1,4]oxazine-2,3-dione is sourced from PubChem (CID 160929911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).