1-[4-[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carbonyl]piperazin-1-yl]ethanone

C22H27N7O3 — CID 53179060

IUPAC1-[4-[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cnn(-c3cc(-c4nc(C(C)(C)C)no4)ccn3)c2C)CC1
InChIInChI=1S/C22H27N7O3/c1-14-17(20(31)28-10-8-27(9-11-28)15(2)30)13-24-29(14)18-12-16(6-7-23-18)19-25-21(26-32-19)22(3,4)5/h6-7,12-13H,8-11H2,1-5H3
InChIKeyUPWIDCIKFHRIKI-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.23
Rot. Bonds3

About 1-[4-[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 53179060) has the molecular formula C22H27N7O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 1-[4-[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID53179060
Molecular FormulaC22H27N7O3
Molecular Weight437.50 g/mol
Exact Mass437.22
IUPAC Name1-[4-[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cnn(-c3cc(-c4nc(C(C)(C)C)no4)ccn3)c2C)CC1
InChIInChI=1S/C22H27N7O3/c1-14-17(20(31)28-10-8-27(9-11-28)15(2)30)13-24-29(14)18-12-16(6-7-23-18)19-25-21(26-32-19)22(3,4)5/h6-7,12-13H,8-11H2,1-5H3
InChIKeyUPWIDCIKFHRIKI-UHFFFAOYSA-N
XLogP2.23
TPSA110.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-morpholin-4-ylmethanone
CID 53179056
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid
CID 56766811
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-5-methylpyrazole-4-carboxamide
CID 53179048
[1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone
CID 53489754
3,4-dihydro-1H-isoquinolin-2-yl-[5-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazol-4-yl]methanone
CID 53179011
[1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 53178987
N-cyclopropyl-5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53178942
[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 53489733
N-(2-methoxyethyl)-5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53178953
N-(cyclopropylmethyl)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide
CID 53178980
5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 95104450
1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(furan-2-ylmethyl)-5-methylpyrazole-4-carboxamide
CID 53179232

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carbonyl]piperazin-1-yl]ethanone (CID 53179060) is 1-[4-[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cnn(-c3cc(-c4nc(C(C)(C)C)no4)ccn3)c2C)CC1.
What is the InChIKey of 1-[4-[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is UPWIDCIKFHRIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O3/c1-14-17(20(31)28-10-8-27(9-11-28)15(2)30)13-24-29(14)18-12-16(6-7-23-18)19-25-21(26-32-19)22(3,4)5/h6-7,12-13H,8-11H2,1-5H3.
What are the key properties of 1-[4-[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 437.50 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 53179060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).