1H-indol-5-yl-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone

C23H24N6O2 — CID 90491452

IUPAC1H-indol-5-yl-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCC(C)c1nc(-c2ccc(N3CCN(C(=O)c4ccc5[nH]ccc5c4)CC3)nc2)no1
InChIInChI=1S/C23H24N6O2/c1-15(2)22-26-21(27-31-22)18-4-6-20(25-14-18)28-9-11-29(12-10-28)23(30)17-3-5-19-16(13-17)7-8-24-19/h3-8,13-15,24H,9-12H2,1-2H3
InChIKeySFZDYELFKASXFV-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.70
Rot. Bonds4

About 1H-indol-5-yl-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone

1H-indol-5-yl-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 90491452) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 1H-indol-5-yl-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-5-yl-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID90491452
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name1H-indol-5-yl-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCC(C)c1nc(-c2ccc(N3CCN(C(=O)c4ccc5[nH]ccc5c4)CC3)nc2)no1
InChIInChI=1S/C23H24N6O2/c1-15(2)22-26-21(27-31-22)18-4-6-20(25-14-18)28-9-11-29(12-10-28)23(30)17-3-5-19-16(13-17)7-8-24-19/h3-8,13-15,24H,9-12H2,1-2H3
InChIKeySFZDYELFKASXFV-UHFFFAOYSA-N
XLogP3.70
TPSA91.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3,5-bis(trifluoromethyl)phenyl]-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 121073138
[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 90491428
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90491426
2-(3-methoxyphenoxy)-1-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 90491417
1H-indol-5-yl-[4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 53134142
[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
CID 119065485
3-(1,3-benzodioxol-5-yl)-1-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]prop-2-en-1-one
CID 75354875
3-[2-oxo-2-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 90491427
5-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]pyran-2-one
CID 71780480
3-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 90491225
[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90491305
1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63717494

Frequently Asked Questions

What is the IUPAC name of 1H-indol-5-yl-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of 1H-indol-5-yl-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone (CID 90491452) is 1H-indol-5-yl-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indol-5-yl-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for 1H-indol-5-yl-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone is CC(C)c1nc(-c2ccc(N3CCN(C(=O)c4ccc5[nH]ccc5c4)CC3)nc2)no1.
What is the InChIKey of 1H-indol-5-yl-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is SFZDYELFKASXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-15(2)22-26-21(27-31-22)18-4-6-20(25-14-18)28-9-11-29(12-10-28)23(30)17-3-5-19-16(13-17)7-8-24-19/h3-8,13-15,24H,9-12H2,1-2H3.
What are the key properties of 1H-indol-5-yl-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone?
1H-indol-5-yl-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 416.49 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-5-yl-[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 90491452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).