[6-[3-(3-methylphenoxy)azetidin-1-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone

C20H25N5O2 — CID 134703286

IUPAC[6-[3-(3-methylphenoxy)azetidin-1-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cccc(OC2CN(c3cncc(C(=O)N4CCN(C)CC4)n3)C2)c1
InChIInChI=1S/C20H25N5O2/c1-15-4-3-5-16(10-15)27-17-13-25(14-17)19-12-21-11-18(22-19)20(26)24-8-6-23(2)7-9-24/h3-5,10-12,17H,6-9,13-14H2,1-2H3
InChIKeyCIGZDRVJWBBEEM-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.44
Rot. Bonds4

About [6-[3-(3-methylphenoxy)azetidin-1-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone

[6-[3-(3-methylphenoxy)azetidin-1-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 134703286) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is [6-[3-(3-methylphenoxy)azetidin-1-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-[3-(3-methylphenoxy)azetidin-1-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID134703286
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name[6-[3-(3-methylphenoxy)azetidin-1-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cccc(OC2CN(c3cncc(C(=O)N4CCN(C)CC4)n3)C2)c1
InChIInChI=1S/C20H25N5O2/c1-15-4-3-5-16(10-15)27-17-13-25(14-17)19-12-21-11-18(22-19)20(26)24-8-6-23(2)7-9-24/h3-5,10-12,17H,6-9,13-14H2,1-2H3
InChIKeyCIGZDRVJWBBEEM-UHFFFAOYSA-N
XLogP1.44
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-[3-(3-methylphenoxy)azetidin-1-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone 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

[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
[6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 155919678
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[3-(3-methylphenoxy)azetidin-1-yl]methanone
CID 70770628
[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-[3-(3-methylphenoxy)cyclopentyl]methanone
CID 143843752
[2-(aminomethyl)-1,3-oxazol-4-yl]-[3-(3-methylphenoxy)azetidin-1-yl]methanone;hydrochloride
CID 154912108
(1S,5R)-3-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 166623222
[4-(3-methylphenoxy)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 46978422
[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 24712422
[6-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 165427430
(3-methylphenyl) 4-methylpiperazine-1-carboxylate
CID 127542806
[6-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 124814484
(4-methylpiperazin-1-yl)-[6-(4-propan-2-yl-1,4-diazepan-1-yl)pyrazin-2-yl]methanone
CID 134709347

Frequently Asked Questions

What is the IUPAC name of [6-[3-(3-methylphenoxy)azetidin-1-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-[3-(3-methylphenoxy)azetidin-1-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 134703286) is [6-[3-(3-methylphenoxy)azetidin-1-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-[3-(3-methylphenoxy)azetidin-1-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-[3-(3-methylphenoxy)azetidin-1-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone is Cc1cccc(OC2CN(c3cncc(C(=O)N4CCN(C)CC4)n3)C2)c1.
What is the InChIKey of [6-[3-(3-methylphenoxy)azetidin-1-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is CIGZDRVJWBBEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-15-4-3-5-16(10-15)27-17-13-25(14-17)19-12-21-11-18(22-19)20(26)24-8-6-23(2)7-9-24/h3-5,10-12,17H,6-9,13-14H2,1-2H3.
What are the key properties of [6-[3-(3-methylphenoxy)azetidin-1-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
[6-[3-(3-methylphenoxy)azetidin-1-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 367.45 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(3-methylphenoxy)azetidin-1-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 134703286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).