2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole

C25H29N5O — CID 155225995

IUPAC2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(C5CCCNC5)o4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C25H29N5O/c1-14(2)22-20-12-17(24-29-30-25(31-24)18-6-5-9-26-13-18)7-8-21(20)28-23(22)19-10-15(3)27-16(4)11-19/h7-8,10-12,14,18,26,28H,5-6,9,13H2,1-4H3
InChIKeyPJCBSRCQSXUZLC-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.49
Rot. Bonds4

About 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole

2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole (PubChem CID 155225995) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole
PubChem CID155225995
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(C5CCCNC5)o4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C25H29N5O/c1-14(2)22-20-12-17(24-29-30-25(31-24)18-6-5-9-26-13-18)7-8-21(20)28-23(22)19-10-15(3)27-16(4)11-19/h7-8,10-12,14,18,26,28H,5-6,9,13H2,1-4H3
InChIKeyPJCBSRCQSXUZLC-UHFFFAOYSA-N
XLogP5.49
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 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) is 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole is Cc1cc(-c2[nH]c3ccc(-c4nnc(C5CCCNC5)o4)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole?
The InChIKey is PJCBSRCQSXUZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-14(2)22-20-12-17(24-29-30-25(31-24)18-6-5-9-26-13-18)7-8-21(20)28-23(22)19-10-15(3)27-16(4)11-19/h7-8,10-12,14,18,26,28H,5-6,9,13H2,1-4H3.
What are the key properties of 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole?
2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole has a molecular weight of 415.54 g/mol, XLogP of 5.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-piperidin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 155225995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).