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

C22H24N4O — CID 155225982

IUPAC2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(C(C)C)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C22H24N4O/c1-12(2)19-17-11-16(22-26-25-21(27-22)13(3)4)6-7-18(17)24-20(19)15-8-9-23-14(5)10-15/h6-13,24H,1-5H3
InChIKeyJODIJGFCSPNRMY-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.84
Rot. Bonds4

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

2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 155225982) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID155225982
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(C(C)C)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C22H24N4O/c1-12(2)19-17-11-16(22-26-25-21(27-22)13(3)4)6-7-18(17)24-20(19)15-8-9-23-14(5)10-15/h6-13,24H,1-5H3
InChIKeyJODIJGFCSPNRMY-UHFFFAOYSA-N
XLogP5.84
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-propan-2-yl-1,3,4-oxadiazole (CID 155225982) is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-propan-2-yl-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-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-propan-2-yl-1,3,4-oxadiazole is Cc1cc(-c2[nH]c3ccc(-c4nnc(C(C)C)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-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is JODIJGFCSPNRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-12(2)19-17-11-16(22-26-25-21(27-22)13(3)4)6-7-18(17)24-20(19)15-8-9-23-14(5)10-15/h6-13,24H,1-5H3.
What are the key properties of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 360.46 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 155225982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).