ethyl 6-(3-chloro-2-methoxy-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazine-2-carboxylate

C21H27ClN4O3 — CID 163576504

IUPACethyl 6-(3-chloro-2-methoxy-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazine-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccnc(OC)c2Cl)c(C)nc1N1CCC(C)(C)CC1
InChIInChI=1S/C21H27ClN4O3/c1-6-29-20(27)17-18(26-11-8-21(3,4)9-12-26)24-13(2)16(25-17)14-7-10-23-19(28-5)15(14)22/h7,10H,6,8-9,11-12H2,1-5H3
InChIKeyGDXVTPWLZIOCGI-UHFFFAOYSA-N
MW418.93 g/mol
LogP4.31
Rot. Bonds5

About ethyl 6-(3-chloro-2-methoxy-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazine-2-carboxylate

ethyl 6-(3-chloro-2-methoxy-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazine-2-carboxylate (PubChem CID 163576504) has the molecular formula C21H27ClN4O3 and a molecular weight of 418.93 g/mol. Its IUPAC name is ethyl 6-(3-chloro-2-methoxy-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(3-chloro-2-methoxy-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazine-2-carboxylate
PubChem CID163576504
Molecular FormulaC21H27ClN4O3
Molecular Weight418.93 g/mol
Exact Mass418.18
IUPAC Nameethyl 6-(3-chloro-2-methoxy-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazine-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccnc(OC)c2Cl)c(C)nc1N1CCC(C)(C)CC1
InChIInChI=1S/C21H27ClN4O3/c1-6-29-20(27)17-18(26-11-8-21(3,4)9-12-26)24-13(2)16(25-17)14-7-10-23-19(28-5)15(14)22/h7,10H,6,8-9,11-12H2,1-5H3
InChIKeyGDXVTPWLZIOCGI-UHFFFAOYSA-N
XLogP4.31
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 6-(3-chloro-2-methoxy-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxylate
CID 166989304
[6-(3-bromo-2-chloro-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazin-2-yl]methanol
CID 149232735
[3-(4-amino-4-methylpiperidin-1-yl)-6-(2-bromo-3-chloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol
CID 139309246
tert-butyl-[[1'-[5-(2,3-dichlorophenyl)-3-ethoxycarbonyl-6-methylpyrazin-2-yl]-7-methylsulfonylspiro[3H-indene-2,4'-piperidine]-1-ylidene]amino]-oxidosulfanium
CID 175969384
[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-ethyl-4-pyridinyl)-5-methylpyrazin-2-yl]methanol
CID 156687252
[6-(2,3-dichloro-4-pyridinyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol
CID 159997828
6-(2,3-dichlorophenyl)-5-methyl-3-(1-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboperoxoic acid
CID 166963294
6-(2,3-dichlorophenyl)-5-methyl-3-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrazine-2-carboxamide
CID 155401025
[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 139309803
ethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate
CID 145442901
ethyl 3-chloro-5-methyl-6-[2-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxylate
CID 155388726
ethyl 3-amino-2-(4-hydroxy-4-methylazepan-1-yl)pyridine-4-carboxylate
CID 107407274

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3-chloro-2-methoxy-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazine-2-carboxylate?
The IUPAC name of ethyl 6-(3-chloro-2-methoxy-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazine-2-carboxylate (CID 163576504) is ethyl 6-(3-chloro-2-methoxy-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazine-2-carboxylate.
What is the SMILES notation for ethyl 6-(3-chloro-2-methoxy-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazine-2-carboxylate?
The canonical SMILES for ethyl 6-(3-chloro-2-methoxy-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazine-2-carboxylate is CCOC(=O)c1nc(-c2ccnc(OC)c2Cl)c(C)nc1N1CCC(C)(C)CC1.
What is the InChIKey of ethyl 6-(3-chloro-2-methoxy-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazine-2-carboxylate?
The InChIKey is GDXVTPWLZIOCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O3/c1-6-29-20(27)17-18(26-11-8-21(3,4)9-12-26)24-13(2)16(25-17)14-7-10-23-19(28-5)15(14)22/h7,10H,6,8-9,11-12H2,1-5H3.
What are the key properties of ethyl 6-(3-chloro-2-methoxy-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazine-2-carboxylate?
ethyl 6-(3-chloro-2-methoxy-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazine-2-carboxylate has a molecular weight of 418.93 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3-chloro-2-methoxy-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 163576504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).