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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Related Compounds

2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 154640036
N,N-dimethyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 154639968
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
2-[(4-methylpiperazin-1-yl)methyl]-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole
CID 154640027
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole
CID 154639954
N,N-dimethyl-2-[4-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
CID 154639939
2-methyl-2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]propanal
CID 167082695
2-(2-methyl-4-pyridinyl)-3-propan-2-yl-5-(2-pyrrolidin-1-ylethoxy)-1H-indole
CID 138688585
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 150976112
2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole
CID 155225995
2-(2-bromo-4-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 146446478
1-[5-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 175946593

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).