[1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone

C21H24N6O2 — CID 53179216

IUPAC[1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1c(C(=O)N2CCC(C)CC2)cnn1-c1ccc(-c2nc(C3CC3)no2)cn1
InChIInChI=1S/C21H24N6O2/c1-13-7-9-26(10-8-13)21(28)17-12-23-27(14(17)2)18-6-5-16(11-22-18)20-24-19(25-29-20)15-3-4-15/h5-6,11-13,15H,3-4,7-10H2,1-2H3
InChIKeyIEEDKGLMKDACFT-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.38
Rot. Bonds4

About [1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone

[1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 53179216) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is [1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID53179216
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name[1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1c(C(=O)N2CCC(C)CC2)cnn1-c1ccc(-c2nc(C3CC3)no2)cn1
InChIInChI=1S/C21H24N6O2/c1-13-7-9-26(10-8-13)21(28)17-12-23-27(14(17)2)18-6-5-16(11-22-18)20-24-19(25-29-20)15-3-4-15/h5-6,11-13,15H,3-4,7-10H2,1-2H3
InChIKeyIEEDKGLMKDACFT-UHFFFAOYSA-N
XLogP3.38
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

[(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
N-benzyl-1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide
CID 53179198
1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 53490139
5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxylic acid
CID 53353088
[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-methylphenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 53037167
5-[3-[1-(4,5-dimethylthiophene-3-carbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
CID 136816035
N-[(2R)-butan-2-yl]-1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide
CID 95104498
2-methyl-4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751119
5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 95104472
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-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide
CID 53178850

Frequently Asked Questions

What is the IUPAC name of [1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 53179216) is [1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone is Cc1c(C(=O)N2CCC(C)CC2)cnn1-c1ccc(-c2nc(C3CC3)no2)cn1.
What is the InChIKey of [1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is IEEDKGLMKDACFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-13-7-9-26(10-8-13)21(28)17-12-23-27(14(17)2)18-6-5-16(11-22-18)20-24-19(25-29-20)15-3-4-15/h5-6,11-13,15H,3-4,7-10H2,1-2H3.
What are the key properties of [1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
[1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 392.46 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 53179216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).