1-(2-ethoxyethyl)-3-[(4-hydroxy-4-methylcyclohexyl)amino]-7-(6-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-2-one

C24H31N5O4 — CID 143336660

IUPAC1-(2-ethoxyethyl)-3-[(4-hydroxy-4-methylcyclohexyl)amino]-7-(6-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-2-one
SMILESCCOCCn1c(=O)c(NC2CCC(C)(O)CC2)nc2cnc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C24H31N5O4/c1-4-33-12-11-29-20-13-18(16-5-6-21(32-3)26-14-16)25-15-19(20)28-22(23(29)30)27-17-7-9-24(2,31)10-8-17/h5-6,13-15,17,31H,4,7-12H2,1-3H3,(H,27,28)
InChIKeyLYOHUONLAJOQLH-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.00
Rot. Bonds8

About 1-(2-ethoxyethyl)-3-[(4-hydroxy-4-methylcyclohexyl)amino]-7-(6-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-2-one

1-(2-ethoxyethyl)-3-[(4-hydroxy-4-methylcyclohexyl)amino]-7-(6-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-2-one (PubChem CID 143336660) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-[(4-hydroxy-4-methylcyclohexyl)amino]-7-(6-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-2-one.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-[(4-hydroxy-4-methylcyclohexyl)amino]-7-(6-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-2-one
PubChem CID143336660
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Name1-(2-ethoxyethyl)-3-[(4-hydroxy-4-methylcyclohexyl)amino]-7-(6-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-2-one
SMILESCCOCCn1c(=O)c(NC2CCC(C)(O)CC2)nc2cnc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C24H31N5O4/c1-4-33-12-11-29-20-13-18(16-5-6-21(32-3)26-14-16)25-15-19(20)28-22(23(29)30)27-17-7-9-24(2,31)10-8-17/h5-6,13-15,17,31H,4,7-12H2,1-3H3,(H,27,28)
InChIKeyLYOHUONLAJOQLH-UHFFFAOYSA-N
XLogP3.00
TPSA111.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(4-hydroxycyclohexyl)amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
CID 11992634
3-(3-hydroxypropylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
CID 11992528
3-[2-[[methoxy(methyl)phosphanyl]amino]ethylamino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
CID 143336664
tert-butyl N-[2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]ethyl]carbamate
CID 70317979
7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 70320175
7-(2-fluoro-4-pyridinyl)-3-[(4-hydroxycyclohexyl)amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
CID 70319470
7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(2-pyridin-2-ylethylamino)pyrido[3,4-b]pyrazin-2-one
CID 11993462
1,1,1-trifluoro-N-[3-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]amino]propyl]methanesulfonamide
CID 70315225
3-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
CID 11993564
7-(6-methoxy-3-pyridinyl)-3-[methyl-[2-(methylamino)ethyl]amino]-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
CID 70316196
7-(1,3-benzodioxol-5-yl)-3-[(4-hydroxycyclohexyl)amino]-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrido[3,4-b]pyrazin-2-one
CID 70315634
3-(diacetylamino)propyl-[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-3-yl]azanium
CID 143336667

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-[(4-hydroxy-4-methylcyclohexyl)amino]-7-(6-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-2-one?
The IUPAC name of 1-(2-ethoxyethyl)-3-[(4-hydroxy-4-methylcyclohexyl)amino]-7-(6-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-2-one (CID 143336660) is 1-(2-ethoxyethyl)-3-[(4-hydroxy-4-methylcyclohexyl)amino]-7-(6-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-2-one.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-[(4-hydroxy-4-methylcyclohexyl)amino]-7-(6-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-2-one?
The canonical SMILES for 1-(2-ethoxyethyl)-3-[(4-hydroxy-4-methylcyclohexyl)amino]-7-(6-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-2-one is CCOCCn1c(=O)c(NC2CCC(C)(O)CC2)nc2cnc(-c3ccc(OC)nc3)cc21.
What is the InChIKey of 1-(2-ethoxyethyl)-3-[(4-hydroxy-4-methylcyclohexyl)amino]-7-(6-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-2-one?
The InChIKey is LYOHUONLAJOQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4/c1-4-33-12-11-29-20-13-18(16-5-6-21(32-3)26-14-16)25-15-19(20)28-22(23(29)30)27-17-7-9-24(2,31)10-8-17/h5-6,13-15,17,31H,4,7-12H2,1-3H3,(H,27,28).
What are the key properties of 1-(2-ethoxyethyl)-3-[(4-hydroxy-4-methylcyclohexyl)amino]-7-(6-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-2-one?
1-(2-ethoxyethyl)-3-[(4-hydroxy-4-methylcyclohexyl)amino]-7-(6-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-2-one has a molecular weight of 453.54 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-[(4-hydroxy-4-methylcyclohexyl)amino]-7-(6-methoxy-3-pyridinyl)pyrido[3,4-b]pyrazin-2-one is sourced from PubChem (CID 143336660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).