4-chloro-N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide

C26H25ClF2N6O3 — CID 134477787

IUPAC4-chloro-N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCC(C)n1ncc2ccc(-c3noc(C4CCN(C(=O)CNC(=O)c5ccc(Cl)cc5)CC4(F)F)n3)cc21
InChIInChI=1S/C26H25ClF2N6O3/c1-15(2)35-21-11-17(3-4-18(21)12-31-35)23-32-25(38-33-23)20-9-10-34(14-26(20,28)29)22(36)13-30-24(37)16-5-7-19(27)8-6-16/h3-8,11-12,15,20H,9-10,13-14H2,1-2H3,(H,30,37)
InChIKeyMBDWAWUKBPLFGG-UHFFFAOYSA-N
MW542.97 g/mol
LogP4.70
Rot. Bonds6

About 4-chloro-N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide

4-chloro-N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 134477787) has the molecular formula C26H25ClF2N6O3 and a molecular weight of 542.97 g/mol. Its IUPAC name is 4-chloro-N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID134477787
Molecular FormulaC26H25ClF2N6O3
Molecular Weight542.97 g/mol
Exact Mass542.16
IUPAC Name4-chloro-N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCC(C)n1ncc2ccc(-c3noc(C4CCN(C(=O)CNC(=O)c5ccc(Cl)cc5)CC4(F)F)n3)cc21
InChIInChI=1S/C26H25ClF2N6O3/c1-15(2)35-21-11-17(3-4-18(21)12-31-35)23-32-25(38-33-23)20-9-10-34(14-26(20,28)29)22(36)13-30-24(37)16-5-7-19(27)8-6-16/h3-8,11-12,15,20H,9-10,13-14H2,1-2H3,(H,30,37)
InChIKeyMBDWAWUKBPLFGG-UHFFFAOYSA-N
XLogP4.70
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.97
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide with MolForge

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Related Compounds

3-cyano-N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 134477783
tert-butyl N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 134477788
5-chloro-N-[2-oxo-2-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]pyridine-2-carboxamide
CID 152870328
4-cyano-N-[2-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]benzamide
CID 134477706
tert-butyl N-[2-oxo-2-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]carbamate
CID 153308155
N-[2-[3,3-difluoro-4-[3-[4-methanimidoyl-3-(propan-2-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 134478140
(1-methylpyrrolidin-2-yl)-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 134478198
4-chlorobenzaldehyde;1-[4-[3-[4-ethanimidoyl-3-(methylamino)phenyl]-1,2,4-oxadiazol-5-yl]-3,3-difluoropiperidin-1-yl]-2-(methylamino)ethanone
CID 142573657
tert-butyl N-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]carbamate
CID 134477858
(1-methylcyclopropyl) 4-[3-[1-(difluoromethyl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 153308090
N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 53130355
pentyl 4-[3-[1-(difluoromethyl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 155066728

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide (CID 134477787) is 4-chloro-N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide is CC(C)n1ncc2ccc(-c3noc(C4CCN(C(=O)CNC(=O)c5ccc(Cl)cc5)CC4(F)F)n3)cc21.
What is the InChIKey of 4-chloro-N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is MBDWAWUKBPLFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClF2N6O3/c1-15(2)35-21-11-17(3-4-18(21)12-31-35)23-32-25(38-33-23)20-9-10-34(14-26(20,28)29)22(36)13-30-24(37)16-5-7-19(27)8-6-16/h3-8,11-12,15,20H,9-10,13-14H2,1-2H3,(H,30,37).
What are the key properties of 4-chloro-N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide?
4-chloro-N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 542.97 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[3,3-difluoro-4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 134477787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).