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

C27H33N5O — CID 146862409

IUPAC2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-3-yl)-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(C5CCCN(C(C)C)C5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C27H33N5O/c1-16(2)24-22-14-20(8-9-23(22)29-25(24)19-10-11-28-18(5)13-19)26-30-31-27(33-26)21-7-6-12-32(15-21)17(3)4/h8-11,13-14,16-17,21,29H,6-7,12,15H2,1-5H3
InChIKeySKXLZSFQKDJOHU-UHFFFAOYSA-N
MW443.60 g/mol
LogP6.30
Rot. Bonds5

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

2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-3-yl)-1,3,4-oxadiazole (PubChem CID 146862409) has the molecular formula C27H33N5O and a molecular weight of 443.60 g/mol. Its IUPAC name is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-3-yl)-1,3,4-oxadiazole
PubChem CID146862409
Molecular FormulaC27H33N5O
Molecular Weight443.60 g/mol
Exact Mass443.27
IUPAC Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-3-yl)-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(C5CCCN(C(C)C)C5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C27H33N5O/c1-16(2)24-22-14-20(8-9-23(22)29-25(24)19-10-11-28-18(5)13-19)26-30-31-27(33-26)21-7-6-12-32(15-21)17(3)4/h8-11,13-14,16-17,21,29H,6-7,12,15H2,1-5H3
InChIKeySKXLZSFQKDJOHU-UHFFFAOYSA-N
XLogP6.30
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.60
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-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-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-3-yl)-1,3,4-oxadiazole (CID 146862409) is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-3-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-(1-propan-2-ylpiperidin-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-3-yl)-1,3,4-oxadiazole is Cc1cc(-c2[nH]c3ccc(-c4nnc(C5CCCN(C(C)C)C5)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-(1-propan-2-ylpiperidin-3-yl)-1,3,4-oxadiazole?
The InChIKey is SKXLZSFQKDJOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O/c1-16(2)24-22-14-20(8-9-23(22)29-25(24)19-10-11-28-18(5)13-19)26-30-31-27(33-26)21-7-6-12-32(15-21)17(3)4/h8-11,13-14,16-17,21,29H,6-7,12,15H2,1-5H3.
What are the key properties of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-3-yl)-1,3,4-oxadiazole?
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(1-propan-2-ylpiperidin-3-yl)-1,3,4-oxadiazole has a molecular weight of 443.60 g/mol, XLogP of 6.30, 5 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-(1-propan-2-ylpiperidin-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 146862409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).