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

C26H31N5O — CID 154640070

IUPAC2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(CCN5CCCCC5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C26H31N5O/c1-17(2)24-21-16-20(7-8-22(21)28-25(24)19-9-11-27-18(3)15-19)26-30-29-23(32-26)10-14-31-12-5-4-6-13-31/h7-9,11,15-17,28H,4-6,10,12-14H2,1-3H3
InChIKeyGPMVRJYXTGLQKE-UHFFFAOYSA-N
MW429.57 g/mol
LogP5.74
Rot. Bonds6

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

2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole (PubChem CID 154640070) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole
PubChem CID154640070
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(CCN5CCCCC5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C26H31N5O/c1-17(2)24-21-16-20(7-8-22(21)28-25(24)19-9-11-27-18(3)15-19)26-30-29-23(32-26)10-14-31-12-5-4-6-13-31/h7-9,11,15-17,28H,4-6,10,12-14H2,1-3H3
InChIKeyGPMVRJYXTGLQKE-UHFFFAOYSA-N
XLogP5.74
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.57
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole (CID 154640070) is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole is Cc1cc(-c2[nH]c3ccc(-c4nnc(CCN5CCCCC5)o4)cc3c2C(C)C)ccn1.
What is the InChIKey of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole?
The InChIKey is GPMVRJYXTGLQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-17(2)24-21-16-20(7-8-22(21)28-25(24)19-9-11-27-18(3)15-19)26-30-29-23(32-26)10-14-31-12-5-4-6-13-31/h7-9,11,15-17,28H,4-6,10,12-14H2,1-3H3.
What are the key properties of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole?
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole has a molecular weight of 429.57 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(2-piperidin-1-ylethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 154640070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).