3-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole

C26H31N5O — CID 134329361

IUPAC3-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(Cc5ncon5)CC4)cc3c2C(C)C)c(C)cn1
InChIInChI=1S/C26H31N5O/c1-16(2)25-22-12-20(19-7-9-31(10-8-19)14-24-28-15-32-30-24)5-6-23(22)29-26(25)21-11-18(4)27-13-17(21)3/h5-6,11-13,15-16,19,29H,7-10,14H2,1-4H3
InChIKeyXBWMGBYLPSIXJZ-UHFFFAOYSA-N
MW429.57 g/mol
LogP5.73
Rot. Bonds5

About 3-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole

3-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 134329361) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is 3-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID134329361
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC Name3-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(Cc5ncon5)CC4)cc3c2C(C)C)c(C)cn1
InChIInChI=1S/C26H31N5O/c1-16(2)25-22-12-20(19-7-9-31(10-8-19)14-24-28-15-32-30-24)5-6-23(22)29-26(25)21-11-18(4)27-13-17(21)3/h5-6,11-13,15-16,19,29H,7-10,14H2,1-4H3
InChIKeyXBWMGBYLPSIXJZ-UHFFFAOYSA-N
XLogP5.73
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.57
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 134329361) is 3-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is Cc1cc(-c2[nH]c3ccc(C4CCN(Cc5ncon5)CC4)cc3c2C(C)C)c(C)cn1.
What is the InChIKey of 3-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is XBWMGBYLPSIXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-16(2)25-22-12-20(19-7-9-31(10-8-19)14-24-28-15-32-30-24)5-6-23(22)29-26(25)21-11-18(4)27-13-17(21)3/h5-6,11-13,15-16,19,29H,7-10,14H2,1-4H3.
What are the key properties of 3-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 429.57 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(2,5-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 134329361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).