methyl 1-[3-(2-methyl-3-oxo-1H-isoindol-5-yl)pyrazin-2-yl]piperidine-4-carboxylate

C20H22N4O3 — CID 171678578

IUPACmethyl 1-[3-(2-methyl-3-oxo-1H-isoindol-5-yl)pyrazin-2-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2nccnc2-c2ccc3c(c2)C(=O)N(C)C3)CC1
InChIInChI=1S/C20H22N4O3/c1-23-12-15-4-3-14(11-16(15)19(23)25)17-18(22-8-7-21-17)24-9-5-13(6-10-24)20(26)27-2/h3-4,7-8,11,13H,5-6,9-10,12H2,1-2H3
InChIKeyCLIOPPXOQKYMLW-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.12
Rot. Bonds3

About methyl 1-[3-(2-methyl-3-oxo-1H-isoindol-5-yl)pyrazin-2-yl]piperidine-4-carboxylate

methyl 1-[3-(2-methyl-3-oxo-1H-isoindol-5-yl)pyrazin-2-yl]piperidine-4-carboxylate (PubChem CID 171678578) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is methyl 1-[3-(2-methyl-3-oxo-1H-isoindol-5-yl)pyrazin-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(2-methyl-3-oxo-1H-isoindol-5-yl)pyrazin-2-yl]piperidine-4-carboxylate
PubChem CID171678578
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Namemethyl 1-[3-(2-methyl-3-oxo-1H-isoindol-5-yl)pyrazin-2-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2nccnc2-c2ccc3c(c2)C(=O)N(C)C3)CC1
InChIInChI=1S/C20H22N4O3/c1-23-12-15-4-3-14(11-16(15)19(23)25)17-18(22-8-7-21-17)24-9-5-13(6-10-24)20(26)27-2/h3-4,7-8,11,13H,5-6,9-10,12H2,1-2H3
InChIKeyCLIOPPXOQKYMLW-UHFFFAOYSA-N
XLogP2.12
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-[3-(2-methyl-3-oxo-1H-isoindol-5-yl)pyrazin-2-yl]piperidine-4-carboxylate 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

(3,4-Dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 888130
2-(5-Methylpyridin-2-YL)-3-[(pyridin-3-YL)amino]-2,3-dihydro-1H-isoindol-1-one
CID 5308756
3-oxo-N-(5-phenylpyrazin-2-yl)spiro[isoindoline-1,4''-piperidine]-1''-carboxamide
CID 9822252
4-[3-(cyclohexylmethyl)-2-oxo-1H-imidazo[4,5-b]pyrazin-5-yl]-N-methylbenzamide
CID 57392648
4-(3-(Cyclohexylmethyl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-B]pyrazin-5-YL)benzamide
CID 57401331
2-[[4-[2-(4-Pyridin-2-ylpiperazin-1-yl)ethyl]phenyl]methyl]isoindole-1,3-dione
CID 85469869
[1-(5-fluoropyridin-2-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-methyl-3-(trifluoromethyl)phenyl]methanone
CID 90409637
P2X3 antagonist 34
CID 132129813
[4-[3-(4-Methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 139307786
1,1-dimethyl-2-[5-(trifluoromethyl)pyrazin-2-yl]-3H-isoindole-4-carboxamide
CID 145960971
1-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 16193849
2-{4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-2,3-dihydro-1H-isoindole-1,3-dione
CID 17456984

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(2-methyl-3-oxo-1H-isoindol-5-yl)pyrazin-2-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[3-(2-methyl-3-oxo-1H-isoindol-5-yl)pyrazin-2-yl]piperidine-4-carboxylate (CID 171678578) is methyl 1-[3-(2-methyl-3-oxo-1H-isoindol-5-yl)pyrazin-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[3-(2-methyl-3-oxo-1H-isoindol-5-yl)pyrazin-2-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[3-(2-methyl-3-oxo-1H-isoindol-5-yl)pyrazin-2-yl]piperidine-4-carboxylate is COC(=O)C1CCN(c2nccnc2-c2ccc3c(c2)C(=O)N(C)C3)CC1.
What is the InChIKey of methyl 1-[3-(2-methyl-3-oxo-1H-isoindol-5-yl)pyrazin-2-yl]piperidine-4-carboxylate?
The InChIKey is CLIOPPXOQKYMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-23-12-15-4-3-14(11-16(15)19(23)25)17-18(22-8-7-21-17)24-9-5-13(6-10-24)20(26)27-2/h3-4,7-8,11,13H,5-6,9-10,12H2,1-2H3.
What are the key properties of methyl 1-[3-(2-methyl-3-oxo-1H-isoindol-5-yl)pyrazin-2-yl]piperidine-4-carboxylate?
methyl 1-[3-(2-methyl-3-oxo-1H-isoindol-5-yl)pyrazin-2-yl]piperidine-4-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(2-methyl-3-oxo-1H-isoindol-5-yl)pyrazin-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 171678578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).