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

C25H29N5O — CID 154639954

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(CC5CCCCN5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C25H29N5O/c1-15(2)23-20-13-18(25-30-29-22(31-25)14-19-6-4-5-10-27-19)7-8-21(20)28-24(23)17-9-11-26-16(3)12-17/h7-9,11-13,15,19,27-28H,4-6,10,14H2,1-3H3
InChIKeyJAMGHUSMHQSVOB-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.40
Rot. Bonds5

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

2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole (PubChem CID 154639954) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole
PubChem CID154639954
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(CC5CCCCN5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C25H29N5O/c1-15(2)23-20-13-18(25-30-29-22(31-25)14-19-6-4-5-10-27-19)7-8-21(20)28-24(23)17-9-11-26-16(3)12-17/h7-9,11-13,15,19,27-28H,4-6,10,14H2,1-3H3
InChIKeyJAMGHUSMHQSVOB-UHFFFAOYSA-N
XLogP5.40
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.40
H-Bond Donors ≤ 52
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-(piperidin-2-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole (CID 154639954) is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperidin-2-ylmethyl)-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-(piperidin-2-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole is Cc1cc(-c2[nH]c3ccc(-c4nnc(CC5CCCCN5)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-(piperidin-2-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is JAMGHUSMHQSVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-15(2)23-20-13-18(25-30-29-22(31-25)14-19-6-4-5-10-27-19)7-8-21(20)28-24(23)17-9-11-26-16(3)12-17/h7-9,11-13,15,19,27-28H,4-6,10,14H2,1-3H3.
What are the key properties of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole?
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 415.54 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 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-(piperidin-2-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 154639954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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