phenyl-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone

C23H24N6O2 — CID 153307975

IUPACphenyl-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone
SMILESCC(C)n1ncc2ccc(-c3noc(N4CCN(C(=O)c5ccccc5)CC4)n3)cc21
InChIInChI=1S/C23H24N6O2/c1-16(2)29-20-14-18(8-9-19(20)15-24-29)21-25-23(31-26-21)28-12-10-27(11-13-28)22(30)17-6-4-3-5-7-17/h3-9,14-16H,10-13H2,1-2H3
InChIKeyPVOMIYBKODNKLP-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.63
Rot. Bonds4

About phenyl-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone

phenyl-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone (PubChem CID 153307975) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is phenyl-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone
PubChem CID153307975
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Namephenyl-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone
SMILESCC(C)n1ncc2ccc(-c3noc(N4CCN(C(=O)c5ccccc5)CC4)n3)cc21
InChIInChI=1S/C23H24N6O2/c1-16(2)29-20-14-18(8-9-19(20)15-24-29)21-25-23(31-26-21)28-12-10-27(11-13-28)22(30)17-6-4-3-5-7-17/h3-9,14-16H,10-13H2,1-2H3
InChIKeyPVOMIYBKODNKLP-UHFFFAOYSA-N
XLogP3.63
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,4-dimethyl-3-[[1-phenyl-6-(2-pyrrolidin-1-ylethylamino)pyrazolo[3,4-d]pyrimidin-4-yl]amino]benzamide
CID 23400216
N,4-dimethyl-3-[(1-phenyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
CID 23400217
N-methoxy-4-methyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
CID 23400251
US10023564, Example 22
CID 118888937
US10214537, Example 12
CID 132209870
N-(1-ethylpyrazol-3-yl)-4-methyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
CID 44450106
N-benzoyl-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)benzamide
CID 71602203
3-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
CID 145976956
[2-Fluoro-4-(trifluoromethyl)phenyl]-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone
CID 164623249
Azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]methanone
CID 46847095
Azepan-1-yl-[1-methyl-3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]indazol-6-yl]methanone
CID 58522713
Azocan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methylindazol-6-yl]methanone
CID 58522781

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone?
The IUPAC name of phenyl-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone (CID 153307975) is phenyl-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone?
The canonical SMILES for phenyl-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone is CC(C)n1ncc2ccc(-c3noc(N4CCN(C(=O)c5ccccc5)CC4)n3)cc21.
What is the InChIKey of phenyl-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone?
The InChIKey is PVOMIYBKODNKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-16(2)29-20-14-18(8-9-19(20)15-24-29)21-25-23(31-26-21)28-12-10-27(11-13-28)22(30)17-6-4-3-5-7-17/h3-9,14-16H,10-13H2,1-2H3.
What are the key properties of phenyl-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone?
phenyl-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone has a molecular weight of 416.49 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 153307975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).