[(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

C21H26N6O2 — CID 95104525

IUPAC[(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
SMILESCc1c(C(=O)N2CCC[C@H](C)C2)cnn1-c1ccc(-c2nc(C(C)C)no2)cn1
InChIInChI=1S/C21H26N6O2/c1-13(2)19-24-20(29-25-19)16-7-8-18(22-10-16)27-15(4)17(11-23-27)21(28)26-9-5-6-14(3)12-26/h7-8,10-11,13-14H,5-6,9,12H2,1-4H3/t14-/m0/s1
InChIKeyAWICIMSLEGCIEL-AWEZNQCLSA-N
MW394.48 g/mol
LogP3.62
Rot. Bonds4

About [(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

[(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 (PubChem CID 95104525) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID95104525
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name[(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
SMILESCc1c(C(=O)N2CCC[C@H](C)C2)cnn1-c1ccc(-c2nc(C(C)C)no2)cn1
InChIInChI=1S/C21H26N6O2/c1-13(2)19-24-20(29-25-19)16-7-8-18(22-10-16)27-15(4)17(11-23-27)21(28)26-9-5-6-14(3)12-26/h7-8,10-11,13-14H,5-6,9,12H2,1-4H3/t14-/m0/s1
InChIKeyAWICIMSLEGCIEL-AWEZNQCLSA-N
XLogP3.62
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(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 with MolForge

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Launch Full Analysis

Related Compounds

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-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 53179216
1-[(3R)-3-[[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone
CID 28697156
1-[3-[[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]piperidin-1-yl]ethanone
CID 45234506
[(2S)-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 45249597
5-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 124823156
N-[(2R)-butan-2-yl]-1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide
CID 95104498
N-[(3-methoxyphenyl)methyl]-5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53490146
[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-(methylamino)piperidin-1-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanone;hydrochloride
CID 119490513
N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53490165
5-methyl-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 95104472

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is Cc1c(C(=O)N2CCC[C@H](C)C2)cnn1-c1ccc(-c2nc(C(C)C)no2)cn1.
What is the InChIKey of [(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?
The InChIKey is AWICIMSLEGCIEL-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-13(2)19-24-20(29-25-19)16-7-8-18(22-10-16)27-15(4)17(11-23-27)21(28)26-9-5-6-14(3)12-26/h7-8,10-11,13-14H,5-6,9,12H2,1-4H3/t14-/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 394.48 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 95104525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).