4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carbonyl)-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one

C20H22N4O4 — CID 136554136

IUPAC4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carbonyl)-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCc4nccnc4C3)CC2=O)c(OC)c1
InChIInChI=1S/C20H22N4O4/c1-27-14-3-4-17(18(10-14)28-2)24-11-13(9-19(24)25)20(26)23-8-5-15-16(12-23)22-7-6-21-15/h3-4,6-7,10,13H,5,8-9,11-12H2,1-2H3
InChIKeyDMZBDAIPZHSDKA-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.43
Rot. Bonds4

About 4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carbonyl)-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one

4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carbonyl)-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one (PubChem CID 136554136) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carbonyl)-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carbonyl)-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one
PubChem CID136554136
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carbonyl)-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(C(=O)N3CCc4nccnc4C3)CC2=O)c(OC)c1
InChIInChI=1S/C20H22N4O4/c1-27-14-3-4-17(18(10-14)28-2)24-11-13(9-19(24)25)20(26)23-8-5-15-16(12-23)22-7-6-21-15/h3-4,6-7,10,13H,5,8-9,11-12H2,1-2H3
InChIKeyDMZBDAIPZHSDKA-UHFFFAOYSA-N
XLogP1.43
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one
CID 113188501
(4R)-1-(2,4-dimethoxyphenyl)-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351549
(4R)-1-(2,4-dimethoxyphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 39312119
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one
CID 119409348
1-(2,4-dimethoxyphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one
CID 113188506
(4S)-1-(2,4-dimethoxyphenyl)-4-[4-(2-phenoxyethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 31370542
(4S)-1-(2,4-dimethoxyphenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351509
(4R)-1-(2,4-dimethoxyphenyl)-4-[(2R)-2-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9351505
4-[4-[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55715811
4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one
CID 55586204
1-(2,4-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120572209
(4S)-4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one
CID 11946747

Frequently Asked Questions

What is the IUPAC name of 4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carbonyl)-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carbonyl)-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one (CID 136554136) is 4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carbonyl)-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carbonyl)-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carbonyl)-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one is COc1ccc(N2CC(C(=O)N3CCc4nccnc4C3)CC2=O)c(OC)c1.
What is the InChIKey of 4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carbonyl)-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one?
The InChIKey is DMZBDAIPZHSDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-27-14-3-4-17(18(10-14)28-2)24-11-13(9-19(24)25)20(26)23-8-5-15-16(12-23)22-7-6-21-15/h3-4,6-7,10,13H,5,8-9,11-12H2,1-2H3.
What are the key properties of 4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carbonyl)-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one?
4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carbonyl)-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one has a molecular weight of 382.42 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carbonyl)-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 136554136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).