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

C23H25N7O3 — CID 45486497

IUPAC7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyrazin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCc2cnccn2)nc2ncc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C23H25N7O3/c1-3-9-33-10-8-30-19-11-17(16-4-5-20(32-2)26-12-16)13-27-21(19)29-22(23(30)31)28-15-18-14-24-6-7-25-18/h4-7,11-14H,3,8-10,15H2,1-2H3,(H,27,28,29)
InChIKeyQOCNJEYUBJPSAC-UHFFFAOYSA-N
MW447.50 g/mol
LogP2.69
Rot. Bonds10

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

7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyrazin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2-one (PubChem CID 45486497) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyrazin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyrazin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2-one
PubChem CID45486497
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC Name7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyrazin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCc2cnccn2)nc2ncc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C23H25N7O3/c1-3-9-33-10-8-30-19-11-17(16-4-5-20(32-2)26-12-16)13-27-21(19)29-22(23(30)31)28-15-18-14-24-6-7-25-18/h4-7,11-14H,3,8-10,15H2,1-2H3,(H,27,28,29)
InChIKeyQOCNJEYUBJPSAC-UHFFFAOYSA-N
XLogP2.69
TPSA116.94 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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)-1-(2-propoxyethyl)-3-(pyrazin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyrazin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2-one (CID 45486497) is 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyrazin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyrazin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyrazin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2-one is CCCOCCn1c(=O)c(NCc2cnccn2)nc2ncc(-c3ccc(OC)nc3)cc21.
What is the InChIKey of 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyrazin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2-one?
The InChIKey is QOCNJEYUBJPSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-3-9-33-10-8-30-19-11-17(16-4-5-20(32-2)26-12-16)13-27-21(19)29-22(23(30)31)28-15-18-14-24-6-7-25-18/h4-7,11-14H,3,8-10,15H2,1-2H3,(H,27,28,29).
What are the key properties of 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyrazin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2-one?
7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyrazin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2-one has a molecular weight of 447.50 g/mol, XLogP of 2.69, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-(pyrazin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 45486497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).