3-(2,4-dichlorophenyl)-6-[[(4S)-4-ethoxypyrrolidin-3-yl]amino]-5-ethyl-1-methylpyrazin-2-one

C19H24Cl2N4O2 — CID 142964552

IUPAC3-(2,4-dichlorophenyl)-6-[[(4S)-4-ethoxypyrrolidin-3-yl]amino]-5-ethyl-1-methylpyrazin-2-one
SMILESCCO[C@H]1CNCC1Nc1c(CC)nc(-c2ccc(Cl)cc2Cl)c(=O)n1C
InChIInChI=1S/C19H24Cl2N4O2/c1-4-14-18(24-15-9-22-10-16(15)27-5-2)25(3)19(26)17(23-14)12-7-6-11(20)8-13(12)21/h6-8,15-16,22,24H,4-5,9-10H2,1-3H3/t15?,16-/m0/s1
InChIKeyOUMYRJPHPCOFQC-LYKKTTPLSA-N
MW411.33 g/mol
LogP3.11
Rot. Bonds6

About 3-(2,4-dichlorophenyl)-6-[[(4S)-4-ethoxypyrrolidin-3-yl]amino]-5-ethyl-1-methylpyrazin-2-one

3-(2,4-dichlorophenyl)-6-[[(4S)-4-ethoxypyrrolidin-3-yl]amino]-5-ethyl-1-methylpyrazin-2-one (PubChem CID 142964552) has the molecular formula C19H24Cl2N4O2 and a molecular weight of 411.33 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-6-[[(4S)-4-ethoxypyrrolidin-3-yl]amino]-5-ethyl-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-6-[[(4S)-4-ethoxypyrrolidin-3-yl]amino]-5-ethyl-1-methylpyrazin-2-one
PubChem CID142964552
Molecular FormulaC19H24Cl2N4O2
Molecular Weight411.33 g/mol
Exact Mass410.13
IUPAC Name3-(2,4-dichlorophenyl)-6-[[(4S)-4-ethoxypyrrolidin-3-yl]amino]-5-ethyl-1-methylpyrazin-2-one
SMILESCCO[C@H]1CNCC1Nc1c(CC)nc(-c2ccc(Cl)cc2Cl)c(=O)n1C
InChIInChI=1S/C19H24Cl2N4O2/c1-4-14-18(24-15-9-22-10-16(15)27-5-2)25(3)19(26)17(23-14)12-7-6-11(20)8-13(12)21/h6-8,15-16,22,24H,4-5,9-10H2,1-3H3/t15?,16-/m0/s1
InChIKeyOUMYRJPHPCOFQC-LYKKTTPLSA-N
XLogP3.11
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(2,4-dichlorophenyl)-6-[[(4S)-4-ethoxypyrrolidin-3-yl]amino]-5-ethyl-1-methylpyrazin-2-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

1-[3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-ethoxypyrrolidin-1-yl]ethanone
CID 10238466
1-[3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-ethoxypyrrolidin-1-yl]butan-1-one
CID 10217448
2-(2,4-dichlorophenyl)-5-[[(3R,4R)-4-ethoxy-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]amino]-6-ethyl-3-methylpyrimidin-4-one
CID 70033278
5-(2,4-dichlorophenyl)-N-[(3R,4S)-4-ethoxy-1-pyrimidin-2-ylpyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine
CID 11167686
(3R,4S)-3-[[2-(2,4-dichlorophenyl)-1,4-dimethyl-6-oxopyrimidin-5-yl]amino]-4-ethoxypyrrolidine-1-carboxylic acid
CID 70033146
3-(2-chloro-4-methoxyphenyl)-6-[[(4R)-4-ethoxy-1-[hydroxy(phenylmethoxy)methyl]pyrrolidin-3-yl]methylamino]-5-ethyl-1-methylpyrazin-2-one
CID 142964529
6-cyclopropyl-5-(2,4-dichlorophenyl)-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine
CID 58583423
methyl 3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-propoxypyrrolidine-1-carboxylate
CID 22147370
3-cyclopropyl-5-(2,4-dichlorophenyl)-N-(2-ethoxy-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrazin-2-amine
CID 22147224
5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
CID 10310823
2-(2,4-dichlorophenyl)-5-[[(3R,4S)-4-ethoxy-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]amino]-3,6-diethylpyrimidin-4-one
CID 70030326
3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-hydroxypyrrolidine-1-carboxylic acid
CID 22147412

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-6-[[(4S)-4-ethoxypyrrolidin-3-yl]amino]-5-ethyl-1-methylpyrazin-2-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-6-[[(4S)-4-ethoxypyrrolidin-3-yl]amino]-5-ethyl-1-methylpyrazin-2-one (CID 142964552) is 3-(2,4-dichlorophenyl)-6-[[(4S)-4-ethoxypyrrolidin-3-yl]amino]-5-ethyl-1-methylpyrazin-2-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-6-[[(4S)-4-ethoxypyrrolidin-3-yl]amino]-5-ethyl-1-methylpyrazin-2-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-6-[[(4S)-4-ethoxypyrrolidin-3-yl]amino]-5-ethyl-1-methylpyrazin-2-one is CCO[C@H]1CNCC1Nc1c(CC)nc(-c2ccc(Cl)cc2Cl)c(=O)n1C.
What is the InChIKey of 3-(2,4-dichlorophenyl)-6-[[(4S)-4-ethoxypyrrolidin-3-yl]amino]-5-ethyl-1-methylpyrazin-2-one?
The InChIKey is OUMYRJPHPCOFQC-LYKKTTPLSA-N. The full InChI is InChI=1S/C19H24Cl2N4O2/c1-4-14-18(24-15-9-22-10-16(15)27-5-2)25(3)19(26)17(23-14)12-7-6-11(20)8-13(12)21/h6-8,15-16,22,24H,4-5,9-10H2,1-3H3/t15?,16-/m0/s1.
What are the key properties of 3-(2,4-dichlorophenyl)-6-[[(4S)-4-ethoxypyrrolidin-3-yl]amino]-5-ethyl-1-methylpyrazin-2-one?
3-(2,4-dichlorophenyl)-6-[[(4S)-4-ethoxypyrrolidin-3-yl]amino]-5-ethyl-1-methylpyrazin-2-one has a molecular weight of 411.33 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-6-[[(4S)-4-ethoxypyrrolidin-3-yl]amino]-5-ethyl-1-methylpyrazin-2-one is sourced from PubChem (CID 142964552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).