1-[4-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]propan-1-one

C22H27N7O2 — CID 159627603

IUPAC1-[4-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cnc(C)c(-c3nnc(-c4ccc(CNC)cc4)o3)n2)CC1
InChIInChI=1S/C22H27N7O2/c1-4-19(30)29-11-9-28(10-12-29)18-14-24-15(2)20(25-18)22-27-26-21(31-22)17-7-5-16(6-8-17)13-23-3/h5-8,14,23H,4,9-13H2,1-3H3
InChIKeyNVDWUKRKKOCKDC-UHFFFAOYSA-N
MW421.51 g/mol
LogP2.28
Rot. Bonds6

About 1-[4-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]propan-1-one

1-[4-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]propan-1-one (PubChem CID 159627603) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is 1-[4-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]propan-1-one
PubChem CID159627603
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC Name1-[4-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cnc(C)c(-c3nnc(-c4ccc(CNC)cc4)o3)n2)CC1
InChIInChI=1S/C22H27N7O2/c1-4-19(30)29-11-9-28(10-12-29)18-14-24-15(2)20(25-18)22-27-26-21(31-22)17-7-5-16(6-8-17)13-23-3/h5-8,14,23H,4,9-13H2,1-3H3
InChIKeyNVDWUKRKKOCKDC-UHFFFAOYSA-N
XLogP2.28
TPSA100.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[(2S)-4-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-propan-2-ylpiperazin-1-yl]propan-1-one
CID 162033773
1-[(2S)-4-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-propan-2-ylpiperazin-1-yl]propan-1-one;molecular hydrogen
CID 162175829
(3R)-1-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol;molecular hydrogen
CID 162249367
1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-2-phenylethanone;molecular hydrogen
CID 159144483
[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 161402480
cyclopentyl-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]methanone;molecular hydrogen
CID 159001872
8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 66744956
N-methyl-1-[4-[5-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine
CID 152850768
2-[6-(4-ethylsulfonylpiperazin-1-yl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
CID 162010857
5-(8-ethylsulfonyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 66744487
2-[3-methyl-6-(4-thiophen-3-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 158857920
(3S)-1-[6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]pyrrolidin-3-ol
CID 123647625

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]propan-1-one (CID 159627603) is 1-[4-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2cnc(C)c(-c3nnc(-c4ccc(CNC)cc4)o3)n2)CC1.
What is the InChIKey of 1-[4-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]propan-1-one?
The InChIKey is NVDWUKRKKOCKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-4-19(30)29-11-9-28(10-12-29)18-14-24-15(2)20(25-18)22-27-26-21(31-22)17-7-5-16(6-8-17)13-23-3/h5-8,14,23H,4,9-13H2,1-3H3.
What are the key properties of 1-[4-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]propan-1-one?
1-[4-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]propan-1-one has a molecular weight of 421.51 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-methyl-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 159627603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).