7-(6-methoxy-3-pyridinyl)-1-(4-methylpentyl)-3-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-2-one

C25H34N6O3 — CID 70320747

IUPAC7-(6-methoxy-3-pyridinyl)-1-(4-methylpentyl)-3-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-2-one
SMILESCOc1ccc(-c2cnc3nc(NCCN4CCOCC4)c(=O)n(CCCC(C)C)c3c2)cn1
InChIInChI=1S/C25H34N6O3/c1-18(2)5-4-9-31-21-15-20(19-6-7-22(33-3)27-16-19)17-28-23(21)29-24(25(31)32)26-8-10-30-11-13-34-14-12-30/h6-7,15-18H,4-5,8-14H2,1-3H3,(H,26,28,29)
InChIKeyKGHWYNVYFIUDRV-UHFFFAOYSA-N
MW466.59 g/mol
LogP3.04
Rot. Bonds10

About 7-(6-methoxy-3-pyridinyl)-1-(4-methylpentyl)-3-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-2-one

7-(6-methoxy-3-pyridinyl)-1-(4-methylpentyl)-3-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-2-one (PubChem CID 70320747) has the molecular formula C25H34N6O3 and a molecular weight of 466.59 g/mol. Its IUPAC name is 7-(6-methoxy-3-pyridinyl)-1-(4-methylpentyl)-3-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name7-(6-methoxy-3-pyridinyl)-1-(4-methylpentyl)-3-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-2-one
PubChem CID70320747
Molecular FormulaC25H34N6O3
Molecular Weight466.59 g/mol
Exact Mass466.27
IUPAC Name7-(6-methoxy-3-pyridinyl)-1-(4-methylpentyl)-3-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-2-one
SMILESCOc1ccc(-c2cnc3nc(NCCN4CCOCC4)c(=O)n(CCCC(C)C)c3c2)cn1
InChIInChI=1S/C25H34N6O3/c1-18(2)5-4-9-31-21-15-20(19-6-7-22(33-3)27-16-19)17-28-23(21)29-24(25(31)32)26-8-10-30-11-13-34-14-12-30/h6-7,15-18H,4-5,8-14H2,1-3H3,(H,26,28,29)
InChIKeyKGHWYNVYFIUDRV-UHFFFAOYSA-N
XLogP3.04
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', '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
4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one
CID 45269493
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)-3-(oxan-4-ylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 70320175
7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)-3-[2-(pyrimidin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one
CID 70320421
3-[2-(4-fluoroanilino)ethylamino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 70321011
3-[[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 45486498
2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylacetamide
CID 11993435
3-[[3-[3-hydroxypropyl(methyl)amino]-2-methylpropyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 143336560
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
3-(1,3-dihydroxypropan-2-ylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 70320428
(2S)-3-hydroxy-2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylpropanamide
CID 143336564

Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxy-3-pyridinyl)-1-(4-methylpentyl)-3-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 7-(6-methoxy-3-pyridinyl)-1-(4-methylpentyl)-3-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-2-one (CID 70320747) is 7-(6-methoxy-3-pyridinyl)-1-(4-methylpentyl)-3-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 7-(6-methoxy-3-pyridinyl)-1-(4-methylpentyl)-3-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 7-(6-methoxy-3-pyridinyl)-1-(4-methylpentyl)-3-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-2-one is COc1ccc(-c2cnc3nc(NCCN4CCOCC4)c(=O)n(CCCC(C)C)c3c2)cn1.
What is the InChIKey of 7-(6-methoxy-3-pyridinyl)-1-(4-methylpentyl)-3-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-2-one?
The InChIKey is KGHWYNVYFIUDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O3/c1-18(2)5-4-9-31-21-15-20(19-6-7-22(33-3)27-16-19)17-28-23(21)29-24(25(31)32)26-8-10-30-11-13-34-14-12-30/h6-7,15-18H,4-5,8-14H2,1-3H3,(H,26,28,29).
What are the key properties of 7-(6-methoxy-3-pyridinyl)-1-(4-methylpentyl)-3-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-2-one?
7-(6-methoxy-3-pyridinyl)-1-(4-methylpentyl)-3-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-2-one has a molecular weight of 466.59 g/mol, XLogP of 3.04, 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)-1-(4-methylpentyl)-3-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 70320747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).