7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(5-methylpyrazin-2-yl)methylamino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one

C23H27N7O3 — CID 70316585

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(5-methylpyrazin-2-yl)methylamino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCc2cnc(C)cn2)nc2ncc(-c3c(C)noc3C)cc21
InChIInChI=1S/C23H27N7O3/c1-5-7-32-8-6-30-19-9-17(20-15(3)29-33-16(20)4)11-26-21(19)28-22(23(30)31)27-13-18-12-24-14(2)10-25-18/h9-12H,5-8,13H2,1-4H3,(H,26,27,28)
InChIKeyAFCOSTPDHDKUFB-UHFFFAOYSA-N
MW449.52 g/mol
LogP3.20
Rot. Bonds9

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(5-methylpyrazin-2-yl)methylamino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one

7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(5-methylpyrazin-2-yl)methylamino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one (PubChem CID 70316585) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(5-methylpyrazin-2-yl)methylamino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(5-methylpyrazin-2-yl)methylamino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
PubChem CID70316585
Molecular FormulaC23H27N7O3
Molecular Weight449.52 g/mol
Exact Mass449.22
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(5-methylpyrazin-2-yl)methylamino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NCc2cnc(C)cn2)nc2ncc(-c3c(C)noc3C)cc21
InChIInChI=1S/C23H27N7O3/c1-5-7-32-8-6-30-19-9-17(20-15(3)29-33-16(20)4)11-26-21(19)28-22(23(30)31)27-13-18-12-24-14(2)10-25-18/h9-12H,5-8,13H2,1-4H3,(H,26,27,28)
InChIKeyAFCOSTPDHDKUFB-UHFFFAOYSA-N
XLogP3.20
TPSA120.85 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 53.20
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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Related Compounds

7-(4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 143336573
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CID 70320175
3-[[(2R)-2-hydroxypropyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 45486564
7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrimidin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one
CID 70320421
2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylacetamide
CID 11993435
3-[2-(4-fluoroanilino)ethylamino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 70321011
7-(2-methoxy-2,3-dihydropyridin-5-yl)-3-(3-methylbutylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 70317303
3-[[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 70320633
4-[1-(cyclobutylmethyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 121375947
3-(1,3-dihydroxypropan-2-ylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 70320428
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 3233765
4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]phenol
CID 87056287

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(5-methylpyrazin-2-yl)methylamino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(5-methylpyrazin-2-yl)methylamino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one (CID 70316585) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(5-methylpyrazin-2-yl)methylamino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(5-methylpyrazin-2-yl)methylamino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(5-methylpyrazin-2-yl)methylamino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one is CCCOCCn1c(=O)c(NCc2cnc(C)cn2)nc2ncc(-c3c(C)noc3C)cc21.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(5-methylpyrazin-2-yl)methylamino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
The InChIKey is AFCOSTPDHDKUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3/c1-5-7-32-8-6-30-19-9-17(20-15(3)29-33-16(20)4)11-26-21(19)28-22(23(30)31)27-13-18-12-24-14(2)10-25-18/h9-12H,5-8,13H2,1-4H3,(H,26,27,28).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(5-methylpyrazin-2-yl)methylamino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(5-methylpyrazin-2-yl)methylamino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one has a molecular weight of 449.52 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(5-methylpyrazin-2-yl)methylamino]-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 70316585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).