7-(2-methoxy-2,3-dihydropyridin-5-yl)-3-(3-methylbutylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one

C23H33N5O3 — CID 70317303

IUPAC7-(2-methoxy-2,3-dihydropyridin-5-yl)-3-(3-methylbutylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCCC(C)C)nc2ncc(C3=CCC(OC)N=C3)cc21
InChIInChI=1S/C23H33N5O3/c1-5-11-31-12-10-28-19-13-18(17-6-7-20(30-4)25-14-17)15-26-21(19)27-22(23(28)29)24-9-8-16(2)3/h6,13-16,20H,5,7-12H2,1-4H3,(H,24,26,27)
InChIKeyUUZVXAXEDDPINU-UHFFFAOYSA-N
MW427.55 g/mol
LogP3.51
Rot. Bonds11

About 7-(2-methoxy-2,3-dihydropyridin-5-yl)-3-(3-methylbutylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one

7-(2-methoxy-2,3-dihydropyridin-5-yl)-3-(3-methylbutylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one (PubChem CID 70317303) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is 7-(2-methoxy-2,3-dihydropyridin-5-yl)-3-(3-methylbutylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name7-(2-methoxy-2,3-dihydropyridin-5-yl)-3-(3-methylbutylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
PubChem CID70317303
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC Name7-(2-methoxy-2,3-dihydropyridin-5-yl)-3-(3-methylbutylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCCC(C)C)nc2ncc(C3=CCC(OC)N=C3)cc21
InChIInChI=1S/C23H33N5O3/c1-5-11-31-12-10-28-19-13-18(17-6-7-20(30-4)25-14-17)15-26-21(19)27-22(23(28)29)24-9-8-16(2)3/h6,13-16,20H,5,7-12H2,1-4H3,(H,24,26,27)
InChIKeyUUZVXAXEDDPINU-UHFFFAOYSA-N
XLogP3.51
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxy-2,3-dihydropyridin-5-yl)-3-(3-methylbutylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 7-(2-methoxy-2,3-dihydropyridin-5-yl)-3-(3-methylbutylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one (CID 70317303) is 7-(2-methoxy-2,3-dihydropyridin-5-yl)-3-(3-methylbutylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 7-(2-methoxy-2,3-dihydropyridin-5-yl)-3-(3-methylbutylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 7-(2-methoxy-2,3-dihydropyridin-5-yl)-3-(3-methylbutylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one is CCCOCCn1c(=O)c(NCCC(C)C)nc2ncc(C3=CCC(OC)N=C3)cc21.
What is the InChIKey of 7-(2-methoxy-2,3-dihydropyridin-5-yl)-3-(3-methylbutylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
The InChIKey is UUZVXAXEDDPINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-5-11-31-12-10-28-19-13-18(17-6-7-20(30-4)25-14-17)15-26-21(19)27-22(23(28)29)24-9-8-16(2)3/h6,13-16,20H,5,7-12H2,1-4H3,(H,24,26,27).
What are the key properties of 7-(2-methoxy-2,3-dihydropyridin-5-yl)-3-(3-methylbutylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
7-(2-methoxy-2,3-dihydropyridin-5-yl)-3-(3-methylbutylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one has a molecular weight of 427.55 g/mol, XLogP of 3.51, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxy-2,3-dihydropyridin-5-yl)-3-(3-methylbutylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 70317303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).