methyl 3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-propoxypyrrolidine-1-carboxylate

C23H30Cl2N4O3 — CID 22147370

IUPACmethyl 3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-propoxypyrrolidine-1-carboxylate
SMILESCCCOC1CN(C(=O)OC)CC1Nc1nc(CC)c(-c2ccc(Cl)cc2Cl)nc1CC
InChIInChI=1S/C23H30Cl2N4O3/c1-5-10-32-20-13-29(23(30)31-4)12-19(20)28-22-18(7-3)26-21(17(6-2)27-22)15-9-8-14(24)11-16(15)25/h8-9,11,19-20H,5-7,10,12-13H2,1-4H3,(H,27,28)
InChIKeyPSGRNUSMKIDYFN-UHFFFAOYSA-N
MW481.42 g/mol
LogP5.23
Rot. Bonds8

About methyl 3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-propoxypyrrolidine-1-carboxylate

methyl 3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-propoxypyrrolidine-1-carboxylate (PubChem CID 22147370) has the molecular formula C23H30Cl2N4O3 and a molecular weight of 481.42 g/mol. Its IUPAC name is methyl 3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-propoxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-propoxypyrrolidine-1-carboxylate
PubChem CID22147370
Molecular FormulaC23H30Cl2N4O3
Molecular Weight481.42 g/mol
Exact Mass480.17
IUPAC Namemethyl 3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-propoxypyrrolidine-1-carboxylate
SMILESCCCOC1CN(C(=O)OC)CC1Nc1nc(CC)c(-c2ccc(Cl)cc2Cl)nc1CC
InChIInChI=1S/C23H30Cl2N4O3/c1-5-10-32-20-13-29(23(30)31-4)12-19(20)28-22-18(7-3)26-21(17(6-2)27-22)15-9-8-14(24)11-16(15)25/h8-9,11,19-20H,5-7,10,12-13H2,1-4H3,(H,27,28)
InChIKeyPSGRNUSMKIDYFN-UHFFFAOYSA-N
XLogP5.23
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.42
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-propoxypyrrolidine-1-carboxylate with MolForge

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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-morpholin-4-ylethyl 3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-(2-fluoroethoxy)pyrrolidine-1-carboxylate
CID 22147372
3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-hydroxypyrrolidine-1-carboxylic acid
CID 22147412
(3R,4S)-3-[[5-(2,4-dichlorophenyl)-3,6-bis(methoxymethyl)pyrazin-2-yl]amino]-4-(2-fluoroethoxy)pyrrolidine-1-carboxylic acid
CID 87941253
5-(2,4-dichlorophenyl)-N-[(3R,4S)-4-ethoxy-1-pyrimidin-2-ylpyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine
CID 11167686
5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
CID 10310823
(3S,4R)-3-[[5-(2-chloro-4-methoxyphenyl)-3,6-diethylpyrazin-2-yl]amino]-4-propoxyoxolan-2-one
CID 58583309
5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-(4-methoxy-2-pyridinyl)pyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine
CID 58914565
5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
CID 58583285
methyl (4S)-3-[[2-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-4-ethoxypyrrolidine-1-carboxylate
CID 58606739
5-(2-chloro-4-methoxyphenyl)-N-[(3R,4S)-4-ethoxy-1-pyridin-2-ylpyrrolidin-3-yl]-3,6-diethylpyrazin-2-amine
CID 11167579

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-propoxypyrrolidine-1-carboxylate?
The IUPAC name of methyl 3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-propoxypyrrolidine-1-carboxylate (CID 22147370) is methyl 3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-propoxypyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-propoxypyrrolidine-1-carboxylate?
The canonical SMILES for methyl 3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-propoxypyrrolidine-1-carboxylate is CCCOC1CN(C(=O)OC)CC1Nc1nc(CC)c(-c2ccc(Cl)cc2Cl)nc1CC.
What is the InChIKey of methyl 3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-propoxypyrrolidine-1-carboxylate?
The InChIKey is PSGRNUSMKIDYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30Cl2N4O3/c1-5-10-32-20-13-29(23(30)31-4)12-19(20)28-22-18(7-3)26-21(17(6-2)27-22)15-9-8-14(24)11-16(15)25/h8-9,11,19-20H,5-7,10,12-13H2,1-4H3,(H,27,28).
What are the key properties of methyl 3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-propoxypyrrolidine-1-carboxylate?
methyl 3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-propoxypyrrolidine-1-carboxylate has a molecular weight of 481.42 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-propoxypyrrolidine-1-carboxylate is sourced from PubChem (CID 22147370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).