methyl 3-[[1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-2-methoxybenzoate

C23H28N4O5 — CID 129237814

IUPACmethyl 3-[[1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-2-methoxybenzoate
SMILESCOC(=O)c1cccc(Nc2ccc3c(n2)N(C2CCOCC2)C(C)C(=O)N3C)c1OC
InChIInChI=1S/C23H28N4O5/c1-14-22(28)26(2)18-8-9-19(25-21(18)27(14)15-10-12-32-13-11-15)24-17-7-5-6-16(20(17)30-3)23(29)31-4/h5-9,14-15H,10-13H2,1-4H3,(H,24,25)
InChIKeyLLWSVZIOTKLEBV-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.97
Rot. Bonds5

About methyl 3-[[1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-2-methoxybenzoate

methyl 3-[[1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-2-methoxybenzoate (PubChem CID 129237814) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is methyl 3-[[1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-[[1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-2-methoxybenzoate
PubChem CID129237814
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Namemethyl 3-[[1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-2-methoxybenzoate
SMILESCOC(=O)c1cccc(Nc2ccc3c(n2)N(C2CCOCC2)C(C)C(=O)N3C)c1OC
InChIInChI=1S/C23H28N4O5/c1-14-22(28)26(2)18-8-9-19(25-21(18)27(14)15-10-12-32-13-11-15)24-17-7-5-6-16(20(17)30-3)23(29)31-4/h5-9,14-15H,10-13H2,1-4H3,(H,24,25)
InChIKeyLLWSVZIOTKLEBV-UHFFFAOYSA-N
XLogP2.97
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-2-methoxybenzoate?
The IUPAC name of methyl 3-[[1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-2-methoxybenzoate (CID 129237814) is methyl 3-[[1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-2-methoxybenzoate.
What is the SMILES notation for methyl 3-[[1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-2-methoxybenzoate?
The canonical SMILES for methyl 3-[[1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-2-methoxybenzoate is COC(=O)c1cccc(Nc2ccc3c(n2)N(C2CCOCC2)C(C)C(=O)N3C)c1OC.
What is the InChIKey of methyl 3-[[1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-2-methoxybenzoate?
The InChIKey is LLWSVZIOTKLEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-14-22(28)26(2)18-8-9-19(25-21(18)27(14)15-10-12-32-13-11-15)24-17-7-5-6-16(20(17)30-3)23(29)31-4/h5-9,14-15H,10-13H2,1-4H3,(H,24,25).
What are the key properties of methyl 3-[[1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-2-methoxybenzoate?
methyl 3-[[1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-2-methoxybenzoate has a molecular weight of 440.50 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1,3-dimethyl-4-(oxan-4-yl)-2-oxo-3H-pyrido[2,3-b]pyrazin-6-yl]amino]-2-methoxybenzoate is sourced from PubChem (CID 129237814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).