7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylmethylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one

C24H31N5O4 — CID 11993342

IUPAC7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylmethylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCC2CCOCC2)nc2ncc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C24H31N5O4/c1-3-9-32-12-8-29-20-13-19(18-4-5-21(31-2)25-15-18)16-27-22(20)28-23(24(29)30)26-14-17-6-10-33-11-7-17/h4-5,13,15-17H,3,6-12,14H2,1-2H3,(H,26,27,28)
InChIKeyJFSBQGADGJTHLZ-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.13
Rot. Bonds10

About 7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylmethylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one

7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylmethylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one (PubChem CID 11993342) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is 7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylmethylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylmethylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
PubChem CID11993342
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Name7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylmethylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCC2CCOCC2)nc2ncc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C24H31N5O4/c1-3-9-32-12-8-29-20-13-19(18-4-5-21(31-2)25-15-18)16-27-22(20)28-23(24(29)30)26-14-17-6-10-33-11-7-17/h4-5,13,15-17H,3,6-12,14H2,1-2H3,(H,26,27,28)
InChIKeyJFSBQGADGJTHLZ-UHFFFAOYSA-N
XLogP3.13
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.13
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylmethylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylmethylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one (CID 11993342) is 7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylmethylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylmethylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylmethylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one is CCCOCCn1c(=O)c(NCC2CCOCC2)nc2ncc(-c3ccc(OC)nc3)cc21.
What is the InChIKey of 7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylmethylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
The InChIKey is JFSBQGADGJTHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O4/c1-3-9-32-12-8-29-20-13-19(18-4-5-21(31-2)25-15-18)16-27-22(20)28-23(24(29)30)26-14-17-6-10-33-11-7-17/h4-5,13,15-17H,3,6-12,14H2,1-2H3,(H,26,27,28).
What are the key properties of 7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylmethylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylmethylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one has a molecular weight of 453.54 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxy-3-pyridinyl)-3-(oxan-4-ylmethylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 11993342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).