3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole

C21H25N9O — CID 166214147

IUPAC3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1-c1cc(-c2nc(-c3cc(N4CCN(C)CC4)ccn3)no2)[nH]n1
InChIInChI=1S/C21H25N9O/c1-13-19(14(2)29(4)26-13)16-12-18(25-24-16)21-23-20(27-31-21)17-11-15(5-6-22-17)30-9-7-28(3)8-10-30/h5-6,11-12H,7-10H2,1-4H3,(H,24,25)
InChIKeyYWMGETPLHDEFQT-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.29
Rot. Bonds4

About 3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole

3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole (PubChem CID 166214147) has the molecular formula C21H25N9O and a molecular weight of 419.49 g/mol. Its IUPAC name is 3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
PubChem CID166214147
Molecular FormulaC21H25N9O
Molecular Weight419.49 g/mol
Exact Mass419.22
IUPAC Name3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1-c1cc(-c2nc(-c3cc(N4CCN(C)CC4)ccn3)no2)[nH]n1
InChIInChI=1S/C21H25N9O/c1-13-19(14(2)29(4)26-13)16-12-18(25-24-16)21-23-20(27-31-21)17-11-15(5-6-22-17)30-9-7-28(3)8-10-30/h5-6,11-12H,7-10H2,1-4H3,(H,24,25)
InChIKeyYWMGETPLHDEFQT-UHFFFAOYSA-N
XLogP2.29
TPSA104.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-thiophen-3-yl-1,2,4-oxadiazole
CID 136531288
3-[3-(piperidin-1-ylmethyl)phenyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 166201264
3-(1-methylpiperazin-2-yl)-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 120957198
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-oxadiazole
CID 136531289
3-[(3-fluorophenyl)methyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
CID 154838469
3-pyrazin-2-yl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 132606149
N-[[3-[3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]acetamide
CID 154758351
2,4-bis[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrimidin-6-one
CID 135839351
3-[5-(1,3,5-trimethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525333
1-methyl-4-[2-(4-methylthiophen-3-yl)-4-pyridinyl]piperazine
CID 25218150
2-(1,3,5-trimethylpyrazol-4-yl)pyridine
CID 91021592
5-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19334548

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole (CID 166214147) is 3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole is Cc1nn(C)c(C)c1-c1cc(-c2nc(-c3cc(N4CCN(C)CC4)ccn3)no2)[nH]n1.
What is the InChIKey of 3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is YWMGETPLHDEFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N9O/c1-13-19(14(2)29(4)26-13)16-12-18(25-24-16)21-23-20(27-31-21)17-11-15(5-6-22-17)30-9-7-28(3)8-10-30/h5-6,11-12H,7-10H2,1-4H3,(H,24,25).
What are the key properties of 3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 419.49 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 166214147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).