(1-methylcyclopropyl) 4-[5-[2-(1-methylpyrazol-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

C21H24N6O3 — CID 137439638

IUPAC(1-methylcyclopropyl) 4-[5-[2-(1-methylpyrazol-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCn1ccc(-c2cc(-c3nc(C4CCN(C(=O)OC5(C)CC5)CC4)no3)ccn2)n1
InChIInChI=1S/C21H24N6O3/c1-21(7-8-21)29-20(28)27-11-4-14(5-12-27)18-23-19(30-25-18)15-3-9-22-17(13-15)16-6-10-26(2)24-16/h3,6,9-10,13-14H,4-5,7-8,11-12H2,1-2H3
InChIKeyKQKWISVDVMRSOK-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.40
Rot. Bonds4

About (1-methylcyclopropyl) 4-[5-[2-(1-methylpyrazol-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate

(1-methylcyclopropyl) 4-[5-[2-(1-methylpyrazol-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (PubChem CID 137439638) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is (1-methylcyclopropyl) 4-[5-[2-(1-methylpyrazol-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(1-methylcyclopropyl) 4-[5-[2-(1-methylpyrazol-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
PubChem CID137439638
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name(1-methylcyclopropyl) 4-[5-[2-(1-methylpyrazol-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
SMILESCn1ccc(-c2cc(-c3nc(C4CCN(C(=O)OC5(C)CC5)CC4)no3)ccn2)n1
InChIInChI=1S/C21H24N6O3/c1-21(7-8-21)29-20(28)27-11-4-14(5-12-27)18-23-19(30-25-18)15-3-9-22-17(13-15)16-6-10-26(2)24-16/h3,6,9-10,13-14H,4-5,7-8,11-12H2,1-2H3
InChIKeyKQKWISVDVMRSOK-UHFFFAOYSA-N
XLogP3.40
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (1-methylcyclopropyl) 4-[5-[2-(1-methylpyrazol-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(1-methylcyclopropyl) 4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 142573575
methyl 4-[5-[2-(1-methylpyrazol-4-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 159553532
(1-methylcyclopropyl) 4-[5-[3-(1-methylpyrazol-3-yl)-2-azaspiro[5.9]pentadecan-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 155066792
ethyl 4-[5-[2-[(3R)-oxolan-3-yl]-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439372
(1-fluorocyclobutyl)-[4-[5-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 137439601
1-[4-[5-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 137439369
methyl 4-[5-[2-(1-methyl-2-oxopyrrolidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439707
methyl 4-[5-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 177289249
cyclobutyl-[4-[5-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 155066698
(2-methyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 58270829
(1-methylcyclopropyl) 4-[5-[(2S)-4-imino-4-(4-methylsulfonylphenyl)butan-2-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 174587281
(1-methoxycyclopropyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 134477842

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl) 4-[5-[2-(1-methylpyrazol-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of (1-methylcyclopropyl) 4-[5-[2-(1-methylpyrazol-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate (CID 137439638) is (1-methylcyclopropyl) 4-[5-[2-(1-methylpyrazol-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for (1-methylcyclopropyl) 4-[5-[2-(1-methylpyrazol-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for (1-methylcyclopropyl) 4-[5-[2-(1-methylpyrazol-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is Cn1ccc(-c2cc(-c3nc(C4CCN(C(=O)OC5(C)CC5)CC4)no3)ccn2)n1.
What is the InChIKey of (1-methylcyclopropyl) 4-[5-[2-(1-methylpyrazol-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
The InChIKey is KQKWISVDVMRSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-21(7-8-21)29-20(28)27-11-4-14(5-12-27)18-23-19(30-25-18)15-3-9-22-17(13-15)16-6-10-26(2)24-16/h3,6,9-10,13-14H,4-5,7-8,11-12H2,1-2H3.
What are the key properties of (1-methylcyclopropyl) 4-[5-[2-(1-methylpyrazol-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate?
(1-methylcyclopropyl) 4-[5-[2-(1-methylpyrazol-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate has a molecular weight of 408.46 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl) 4-[5-[2-(1-methylpyrazol-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 137439638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).