1-(4-chlorophenyl)-4-[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]butane-1,4-dione

C24H24ClN5O3 — CID 90491486

IUPAC1-(4-chlorophenyl)-4-[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]butane-1,4-dione
SMILESO=C(CCC(=O)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClN5O3/c25-19-6-3-16(4-7-19)20(31)8-10-22(32)30-13-11-29(12-14-30)21-9-5-18(15-26-21)23-27-24(33-28-23)17-1-2-17/h3-7,9,15,17H,1-2,8,10-14H2
InChIKeyYOJNMOCRSYQQEI-UHFFFAOYSA-N
MW465.94 g/mol
LogP3.97
Rot. Bonds7

About 1-(4-chlorophenyl)-4-[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]butane-1,4-dione

1-(4-chlorophenyl)-4-[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]butane-1,4-dione (PubChem CID 90491486) has the molecular formula C24H24ClN5O3 and a molecular weight of 465.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]butane-1,4-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]butane-1,4-dione
PubChem CID90491486
Molecular FormulaC24H24ClN5O3
Molecular Weight465.94 g/mol
Exact Mass465.16
IUPAC Name1-(4-chlorophenyl)-4-[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]butane-1,4-dione
SMILESO=C(CCC(=O)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClN5O3/c25-19-6-3-16(4-7-19)20(31)8-10-22(32)30-13-11-29(12-14-30)21-9-5-18(15-26-21)23-27-24(33-28-23)17-1-2-17/h3-7,9,15,17H,1-2,8,10-14H2
InChIKeyYOJNMOCRSYQQEI-UHFFFAOYSA-N
XLogP3.97
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxamide
CID 121073239
3-[2-[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 90491515
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 50767501
1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]hexan-1-one
CID 5149726
[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 90491474
1-(4-chlorophenyl)-4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butane-1,4-dione
CID 134042188
1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 5042134
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethylphenyl)methanone
CID 4668115
1-[4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-4-phenylbutane-1,4-dione
CID 146948181
1-(4-chlorophenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butane-1,4-dione
CID 108730014
1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 42760561
1-[(3S)-3-[(3S)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 52516749

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]butane-1,4-dione?
The IUPAC name of 1-(4-chlorophenyl)-4-[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]butane-1,4-dione (CID 90491486) is 1-(4-chlorophenyl)-4-[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]butane-1,4-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]butane-1,4-dione?
The canonical SMILES for 1-(4-chlorophenyl)-4-[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]butane-1,4-dione is O=C(CCC(=O)N1CCN(c2ccc(-c3noc(C4CC4)n3)cn2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]butane-1,4-dione?
The InChIKey is YOJNMOCRSYQQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O3/c25-19-6-3-16(4-7-19)20(31)8-10-22(32)30-13-11-29(12-14-30)21-9-5-18(15-26-21)23-27-24(33-28-23)17-1-2-17/h3-7,9,15,17H,1-2,8,10-14H2.
What are the key properties of 1-(4-chlorophenyl)-4-[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]butane-1,4-dione?
1-(4-chlorophenyl)-4-[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]butane-1,4-dione has a molecular weight of 465.94 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]butane-1,4-dione is sourced from PubChem (CID 90491486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).