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

C21H27N5O5 — CID 70320428

IUPAC3-(1,3-dihydroxypropan-2-ylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NC(CO)CO)nc2ncc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C21H27N5O5/c1-3-7-31-8-6-26-17-9-15(14-4-5-18(30-2)22-10-14)11-23-19(17)25-20(21(26)29)24-16(12-27)13-28/h4-5,9-11,16,27-28H,3,6-8,12-13H2,1-2H3,(H,23,24,25)
InChIKeyJBONABRKAZYDRJ-UHFFFAOYSA-N
MW429.48 g/mol
LogP1.05
Rot. Bonds11

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

3-(1,3-dihydroxypropan-2-ylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one (PubChem CID 70320428) has the molecular formula C21H27N5O5 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-(1,3-dihydroxypropan-2-ylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name3-(1,3-dihydroxypropan-2-ylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
PubChem CID70320428
Molecular FormulaC21H27N5O5
Molecular Weight429.48 g/mol
Exact Mass429.20
IUPAC Name3-(1,3-dihydroxypropan-2-ylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
SMILESCCCOCCn1c(=O)c(NC(CO)CO)nc2ncc(-c3ccc(OC)nc3)cc21
InChIInChI=1S/C21H27N5O5/c1-3-7-31-8-6-26-17-9-15(14-4-5-18(30-2)22-10-14)11-23-19(17)25-20(21(26)29)24-16(12-27)13-28/h4-5,9-11,16,27-28H,3,6-8,12-13H2,1-2H3,(H,23,24,25)
InChIKeyJBONABRKAZYDRJ-UHFFFAOYSA-N
XLogP1.05
TPSA131.62 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 51.05
H-Bond Donors ≤ 53
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

(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
3-[[(2R)-2-hydroxypropyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 45486564
2-[[7-(6-methoxy-3-pyridinyl)-2-oxo-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3-yl]amino]-N-methylacetamide
CID 11993435
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
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
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-(pyrazin-2-ylamino)ethylamino]pyrido[2,3-b]pyrazin-2-one
CID 70320991
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-[[3-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropyl]amino]-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one
CID 143336488
3-(3-hydroxypropylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2-one
CID 11992528

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroxypropan-2-ylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 3-(1,3-dihydroxypropan-2-ylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one (CID 70320428) is 3-(1,3-dihydroxypropan-2-ylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 3-(1,3-dihydroxypropan-2-ylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 3-(1,3-dihydroxypropan-2-ylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one is CCCOCCn1c(=O)c(NC(CO)CO)nc2ncc(-c3ccc(OC)nc3)cc21.
What is the InChIKey of 3-(1,3-dihydroxypropan-2-ylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
The InChIKey is JBONABRKAZYDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O5/c1-3-7-31-8-6-26-17-9-15(14-4-5-18(30-2)22-10-14)11-23-19(17)25-20(21(26)29)24-16(12-27)13-28/h4-5,9-11,16,27-28H,3,6-8,12-13H2,1-2H3,(H,23,24,25).
What are the key properties of 3-(1,3-dihydroxypropan-2-ylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one?
3-(1,3-dihydroxypropan-2-ylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one has a molecular weight of 429.48 g/mol, XLogP of 1.05, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroxypropan-2-ylamino)-7-(6-methoxy-3-pyridinyl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 70320428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).