4-[2-fluoro-4-[5-oxo-1-(3-oxo-4H-chromen-6-yl)pyrrolidin-3-yl]butyl]-6-methoxypyrido[2,3-b]pyrazin-3-one

C25H25FN4O5 — CID 157289989

IUPAC4-[2-fluoro-4-[5-oxo-1-(3-oxo-4H-chromen-6-yl)pyrrolidin-3-yl]butyl]-6-methoxypyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc2ncc(=O)n(CC(F)CCC3CC(=O)N(c4ccc5c(c4)CC(=O)CO5)C3)c2n1
InChIInChI=1S/C25H25FN4O5/c1-34-22-7-5-20-25(28-22)30(24(33)11-27-20)13-17(26)3-2-15-8-23(32)29(12-15)18-4-6-21-16(9-18)10-19(31)14-35-21/h4-7,9,11,15,17H,2-3,8,10,12-14H2,1H3
InChIKeyNKFLZSGEVRSXCS-UHFFFAOYSA-N
MW480.50 g/mol
LogP2.48
Rot. Bonds7

About 4-[2-fluoro-4-[5-oxo-1-(3-oxo-4H-chromen-6-yl)pyrrolidin-3-yl]butyl]-6-methoxypyrido[2,3-b]pyrazin-3-one

4-[2-fluoro-4-[5-oxo-1-(3-oxo-4H-chromen-6-yl)pyrrolidin-3-yl]butyl]-6-methoxypyrido[2,3-b]pyrazin-3-one (PubChem CID 157289989) has the molecular formula C25H25FN4O5 and a molecular weight of 480.50 g/mol. Its IUPAC name is 4-[2-fluoro-4-[5-oxo-1-(3-oxo-4H-chromen-6-yl)pyrrolidin-3-yl]butyl]-6-methoxypyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-[2-fluoro-4-[5-oxo-1-(3-oxo-4H-chromen-6-yl)pyrrolidin-3-yl]butyl]-6-methoxypyrido[2,3-b]pyrazin-3-one
PubChem CID157289989
Molecular FormulaC25H25FN4O5
Molecular Weight480.50 g/mol
Exact Mass480.18
IUPAC Name4-[2-fluoro-4-[5-oxo-1-(3-oxo-4H-chromen-6-yl)pyrrolidin-3-yl]butyl]-6-methoxypyrido[2,3-b]pyrazin-3-one
SMILESCOc1ccc2ncc(=O)n(CC(F)CCC3CC(=O)N(c4ccc5c(c4)CC(=O)CO5)C3)c2n1
InChIInChI=1S/C25H25FN4O5/c1-34-22-7-5-20-25(28-22)30(24(33)11-27-20)13-17(26)3-2-15-8-23(32)29(12-15)18-4-6-21-16(9-18)10-19(31)14-35-21/h4-7,9,11,15,17H,2-3,8,10,12-14H2,1H3
InChIKeyNKFLZSGEVRSXCS-UHFFFAOYSA-N
XLogP2.48
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[2-fluoro-4-[5-oxo-1-(3-oxo-4H-chromen-6-yl)pyrrolidin-3-yl]butyl]-6-methoxypyrido[2,3-b]pyrazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(4R)-4-[5-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)pentyl]-2-oxopyrrolidin-1-yl]-4H-pyrano[3,2-b]pyridin-3-one
CID 162251730
4-(2,2-dimethoxyethyl)-6-methoxypyrido[2,3-b]pyrazin-3-one
CID 53302190
6-[(4S)-4-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propylamino]methyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90264238
6-[(4R)-4-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propylamino]methyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 90264365
(5R)-5-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)propyl]amino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one
CID 68782319
6-[(4R)-4-[4-(7-methoxy-2-oxoquinoxalin-1-yl)butyl]-2-oxopyrrolidin-1-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 159176721
6-[[[1-[1-hydroxy-2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
CID 90355492
2-[3-[(3S,4S)-4-hydroxy-1-[2-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)ethyl]pyrrolidin-3-yl]propyl]-8H-pyrimido[5,4-b][1,4]oxazin-7-one
CID 159551725
4-[2-[4-[2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl(methyl)amino]-1-methoxy-4-methylcyclohexyl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one
CID 71487417
4-[(2S)-2-[(2S,5R)-5-(2,3-dihydro-[1,4]oxathiino[2,3-c]pyridin-7-ylmethylamino)oxan-2-yl]-2-hydroxyethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one
CID 66740981
tert-butyl N-[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridin-8-yl]methyl]carbamate
CID 86643901
4-[2-[4-(6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-3-ylmethylamino)piperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one;dihydrochloride
CID 68995440

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-[5-oxo-1-(3-oxo-4H-chromen-6-yl)pyrrolidin-3-yl]butyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-[2-fluoro-4-[5-oxo-1-(3-oxo-4H-chromen-6-yl)pyrrolidin-3-yl]butyl]-6-methoxypyrido[2,3-b]pyrazin-3-one (CID 157289989) is 4-[2-fluoro-4-[5-oxo-1-(3-oxo-4H-chromen-6-yl)pyrrolidin-3-yl]butyl]-6-methoxypyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-[2-fluoro-4-[5-oxo-1-(3-oxo-4H-chromen-6-yl)pyrrolidin-3-yl]butyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-[2-fluoro-4-[5-oxo-1-(3-oxo-4H-chromen-6-yl)pyrrolidin-3-yl]butyl]-6-methoxypyrido[2,3-b]pyrazin-3-one is COc1ccc2ncc(=O)n(CC(F)CCC3CC(=O)N(c4ccc5c(c4)CC(=O)CO5)C3)c2n1.
What is the InChIKey of 4-[2-fluoro-4-[5-oxo-1-(3-oxo-4H-chromen-6-yl)pyrrolidin-3-yl]butyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?
The InChIKey is NKFLZSGEVRSXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O5/c1-34-22-7-5-20-25(28-22)30(24(33)11-27-20)13-17(26)3-2-15-8-23(32)29(12-15)18-4-6-21-16(9-18)10-19(31)14-35-21/h4-7,9,11,15,17H,2-3,8,10,12-14H2,1H3.
What are the key properties of 4-[2-fluoro-4-[5-oxo-1-(3-oxo-4H-chromen-6-yl)pyrrolidin-3-yl]butyl]-6-methoxypyrido[2,3-b]pyrazin-3-one?
4-[2-fluoro-4-[5-oxo-1-(3-oxo-4H-chromen-6-yl)pyrrolidin-3-yl]butyl]-6-methoxypyrido[2,3-b]pyrazin-3-one has a molecular weight of 480.50 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-[5-oxo-1-(3-oxo-4H-chromen-6-yl)pyrrolidin-3-yl]butyl]-6-methoxypyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 157289989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).