2-methyl-1-[4-[5-[1-(oxetan-3-yl)pyrazolo[4,5-b]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one

C20H24N6O3 — CID 137439694

IUPAC2-methyl-1-[4-[5-[1-(oxetan-3-yl)pyrazolo[4,5-b]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(c2noc(-c3cnc4cnn(C5COC5)c4c3)n2)CC1
InChIInChI=1S/C20H24N6O3/c1-12(2)20(27)25-5-3-13(4-6-25)18-23-19(29-24-18)14-7-17-16(21-8-14)9-22-26(17)15-10-28-11-15/h7-9,12-13,15H,3-6,10-11H2,1-2H3
InChIKeyPYVRCGFKLKQELI-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.41
Rot. Bonds4

About 2-methyl-1-[4-[5-[1-(oxetan-3-yl)pyrazolo[4,5-b]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one

2-methyl-1-[4-[5-[1-(oxetan-3-yl)pyrazolo[4,5-b]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one (PubChem CID 137439694) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-methyl-1-[4-[5-[1-(oxetan-3-yl)pyrazolo[4,5-b]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[5-[1-(oxetan-3-yl)pyrazolo[4,5-b]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
PubChem CID137439694
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name2-methyl-1-[4-[5-[1-(oxetan-3-yl)pyrazolo[4,5-b]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(c2noc(-c3cnc4cnn(C5COC5)c4c3)n2)CC1
InChIInChI=1S/C20H24N6O3/c1-12(2)20(27)25-5-3-13(4-6-25)18-23-19(29-24-18)14-7-17-16(21-8-14)9-22-26(17)15-10-28-11-15/h7-9,12-13,15H,3-6,10-11H2,1-2H3
InChIKeyPYVRCGFKLKQELI-UHFFFAOYSA-N
XLogP2.41
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-methyl-1-[4-[5-[1-(oxetan-3-yl)pyrazolo[4,5-b]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

methyl 4-[5-[4-bromo-1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439580
2-methyl-1-[(4R)-2-methyl-4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
CID 137437820
(1-methoxycyclopropyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 134477842
(3-fluoro-2-pyridinyl)-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 134477803
3-cyclobutyl-1-[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
CID 142573668
methyl 4-[5-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 177289249
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
tert-butyl (2S,4S)-2-methyl-4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439350
5-[3-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,2,4-oxadiazol-5-yl]-3-(oxetan-3-yl)-1,3-benzoxazol-2-one
CID 137439414
1-[4-[5-(2-fluoro-3-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 137439351
methyl 4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134477500
cyclopropyl 4-[5-[6-methanimidoyl-5-(oxetan-3-ylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 162304189

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[5-[1-(oxetan-3-yl)pyrazolo[4,5-b]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[5-[1-(oxetan-3-yl)pyrazolo[4,5-b]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one (CID 137439694) is 2-methyl-1-[4-[5-[1-(oxetan-3-yl)pyrazolo[4,5-b]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[5-[1-(oxetan-3-yl)pyrazolo[4,5-b]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[5-[1-(oxetan-3-yl)pyrazolo[4,5-b]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(c2noc(-c3cnc4cnn(C5COC5)c4c3)n2)CC1.
What is the InChIKey of 2-methyl-1-[4-[5-[1-(oxetan-3-yl)pyrazolo[4,5-b]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one?
The InChIKey is PYVRCGFKLKQELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-12(2)20(27)25-5-3-13(4-6-25)18-23-19(29-24-18)14-7-17-16(21-8-14)9-22-26(17)15-10-28-11-15/h7-9,12-13,15H,3-6,10-11H2,1-2H3.
What are the key properties of 2-methyl-1-[4-[5-[1-(oxetan-3-yl)pyrazolo[4,5-b]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one?
2-methyl-1-[4-[5-[1-(oxetan-3-yl)pyrazolo[4,5-b]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one has a molecular weight of 396.45 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[5-[1-(oxetan-3-yl)pyrazolo[4,5-b]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 137439694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).