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

C22H27N5O3 — CID 137437820

IUPAC2-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
SMILESCC(C)C(=O)N1CC[C@@H](c2noc(-c3ccc4cnn(C5COC5)c4c3)n2)CC1C
InChIInChI=1S/C22H27N5O3/c1-13(2)22(28)26-7-6-15(8-14(26)3)20-24-21(30-25-20)16-4-5-17-10-23-27(19(17)9-16)18-11-29-12-18/h4-5,9-10,13-15,18H,6-8,11-12H2,1-3H3/t14?,15-/m1/s1
InChIKeyMTGPQAZFETYIIH-YSSOQSIOSA-N
MW409.49 g/mol
LogP3.41
Rot. Bonds4

About 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

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 (PubChem CID 137437820) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID137437820
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name2-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
SMILESCC(C)C(=O)N1CC[C@@H](c2noc(-c3ccc4cnn(C5COC5)c4c3)n2)CC1C
InChIInChI=1S/C22H27N5O3/c1-13(2)22(28)26-7-6-15(8-14(26)3)20-24-21(30-25-20)16-4-5-17-10-23-27(19(17)9-16)18-11-29-12-18/h4-5,9-10,13-15,18H,6-8,11-12H2,1-3H3/t14?,15-/m1/s1
InChIKeyMTGPQAZFETYIIH-YSSOQSIOSA-N
XLogP3.41
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
(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
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
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-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]-1,4-diazepane-1-carboxylate
CID 134477599
methyl 4-[5-[4-bromo-1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439580
methyl 1-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]azepane-4-carboxylate
CID 153308106
methyl 4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134477500
[4-[5-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-3-yl]piperazin-1-yl]-spiro[2.3]hexan-5-ylmethanone
CID 134478520
5-[1-(oxetan-3-yl)indazol-6-yl]-3-piperazin-1-yl-1,2,4-oxadiazole
CID 134478518
methoxymethane;4-[3-[1-(oxetan-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carbaldehyde
CID 142573619

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C(=O)N1CC[C@@H](c2noc(-c3ccc4cnn(C5COC5)c4c3)n2)CC1C.
What is the InChIKey of 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?
The InChIKey is MTGPQAZFETYIIH-YSSOQSIOSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-13(2)22(28)26-7-6-15(8-14(26)3)20-24-21(30-25-20)16-4-5-17-10-23-27(19(17)9-16)18-11-29-12-18/h4-5,9-10,13-15,18H,6-8,11-12H2,1-3H3/t14?,15-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 409.49 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 137437820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).