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

C23H29N5O4 — CID 11993171

IUPAC7-(6-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCC2CCCO2)nc2cnc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C23H29N5O4/c1-3-9-31-11-8-28-20-12-18(16-6-7-21(30-2)25-13-16)24-15-19(20)27-22(23(28)29)26-14-17-5-4-10-32-17/h6-7,12-13,15,17H,3-5,8-11,14H2,1-2H3,(H,26,27)
InChIKeyWQNRPUZSDCBDJG-UHFFFAOYSA-N
MW439.52 g/mol
LogP2.88
Rot. Bonds10

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

7-(6-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one (PubChem CID 11993171) has the molecular formula C23H29N5O4 and a molecular weight of 439.52 g/mol. Its IUPAC name is 7-(6-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one.

Molecular Properties

Compound Name7-(6-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
PubChem CID11993171
Molecular FormulaC23H29N5O4
Molecular Weight439.52 g/mol
Exact Mass439.22
IUPAC Name7-(6-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCC2CCCO2)nc2cnc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C23H29N5O4/c1-3-9-31-11-8-28-20-12-18(16-6-7-21(30-2)25-13-16)24-15-19(20)27-22(23(28)29)26-14-17-5-4-10-32-17/h6-7,12-13,15,17H,3-5,8-11,14H2,1-2H3,(H,26,27)
InChIKeyWQNRPUZSDCBDJG-UHFFFAOYSA-N
XLogP2.88
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 52.88
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-(oxolan-2-ylmethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
The IUPAC name of 7-(6-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one (CID 11993171) is 7-(6-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one.
What is the SMILES notation for 7-(6-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
The canonical SMILES for 7-(6-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one is CCCOCCn1c(=O)c(NCC2CCCO2)nc2cnc(-c3ccc(OC)nc3)cc21.
What is the InChIKey of 7-(6-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
The InChIKey is WQNRPUZSDCBDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4/c1-3-9-31-11-8-28-20-12-18(16-6-7-21(30-2)25-13-16)24-15-19(20)27-22(23(28)29)26-14-17-5-4-10-32-17/h6-7,12-13,15,17H,3-5,8-11,14H2,1-2H3,(H,26,27).
What are the key properties of 7-(6-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one?
7-(6-methoxy-3-pyridinyl)-3-(oxolan-2-ylmethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one has a molecular weight of 439.52 g/mol, XLogP of 2.88, 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-(oxolan-2-ylmethylamino)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one is sourced from PubChem (CID 11993171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).