[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

C28H33N7O2 — CID 53489754

IUPAC[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
SMILESCc1ccc(N2CCN(C(=O)c3cnn(-c4ccc(-c5nc(C(C)(C)C)no5)cn4)c3C)CC2)c(C)c1
InChIInChI=1S/C28H33N7O2/c1-18-7-9-23(19(2)15-18)33-11-13-34(14-12-33)26(36)22-17-30-35(20(22)3)24-10-8-21(16-29-24)25-31-27(32-37-25)28(4,5)6/h7-10,15-17H,11-14H2,1-6H3
InChIKeyDDASVNHFZXQHJQ-UHFFFAOYSA-N
MW499.62 g/mol
LogP4.50
Rot. Bonds4

About [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

[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 (PubChem CID 53489754) has the molecular formula C28H33N7O2 and a molecular weight of 499.62 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID53489754
Molecular FormulaC28H33N7O2
Molecular Weight499.62 g/mol
Exact Mass499.27
IUPAC Name[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
SMILESCc1ccc(N2CCN(C(=O)c3cnn(-c4ccc(-c5nc(C(C)(C)C)no5)cn4)c3C)CC2)c(C)c1
InChIInChI=1S/C28H33N7O2/c1-18-7-9-23(19(2)15-18)33-11-13-34(14-12-33)26(36)22-17-30-35(20(22)3)24-10-8-21(16-29-24)25-31-27(32-37-25)28(4,5)6/h7-10,15-17H,11-14H2,1-6H3
InChIKeyDDASVNHFZXQHJQ-UHFFFAOYSA-N
XLogP4.50
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
[1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-morpholin-4-ylmethanone
CID 53179056
N-[(2R)-butan-2-yl]-1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide
CID 95104498
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid
CID 56766811
[1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 53179216
1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(furan-2-ylmethyl)-5-methylpyrazole-4-carboxamide
CID 53179232
[(3S)-3-methylpiperidin-1-yl]-[5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazol-4-yl]methanone
CID 95104525
1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazole-4-carboxamide
CID 53490113
[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
5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid
CID 53353088
tert-butyl 4-[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-1-(4-methylphenyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 46280957
[1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 53178882

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1ccc(N2CCN(C(=O)c3cnn(-c4ccc(-c5nc(C(C)(C)C)no5)cn4)c3C)CC2)c(C)c1.
What is the InChIKey of [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?
The InChIKey is DDASVNHFZXQHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O2/c1-18-7-9-23(19(2)15-18)33-11-13-34(14-12-33)26(36)22-17-30-35(20(22)3)24-10-8-21(16-29-24)25-31-27(32-37-25)28(4,5)6/h7-10,15-17H,11-14H2,1-6H3.
What are the key properties of [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?
[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 has a molecular weight of 499.62 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 53489754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).