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

C25H23N5O — CID 154639961

IUPAC2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(pyridin-3-ylmethyl)-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(Cc5cccnc5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C25H23N5O/c1-15(2)23-20-13-19(25-30-29-22(31-25)12-17-5-4-9-26-14-17)6-7-21(20)28-24(23)18-8-10-27-16(3)11-18/h4-11,13-15,28H,12H2,1-3H3
InChIKeyPGCQRVKKLJQYAF-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.70
Rot. Bonds5

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

2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(pyridin-3-ylmethyl)-1,3,4-oxadiazole (PubChem CID 154639961) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(pyridin-3-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(pyridin-3-ylmethyl)-1,3,4-oxadiazole
PubChem CID154639961
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(pyridin-3-ylmethyl)-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(Cc5cccnc5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C25H23N5O/c1-15(2)23-20-13-19(25-30-29-22(31-25)12-17-5-4-9-26-14-17)6-7-21(20)28-24(23)18-8-10-27-16(3)11-18/h4-11,13-15,28H,12H2,1-3H3
InChIKeyPGCQRVKKLJQYAF-UHFFFAOYSA-N
XLogP5.70
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(pyridin-3-ylmethyl)-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-(pyridin-3-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(pyridin-3-ylmethyl)-1,3,4-oxadiazole (CID 154639961) is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(pyridin-3-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-(pyridin-3-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(pyridin-3-ylmethyl)-1,3,4-oxadiazole is Cc1cc(-c2[nH]c3ccc(-c4nnc(Cc5cccnc5)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-(pyridin-3-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is PGCQRVKKLJQYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-15(2)23-20-13-19(25-30-29-22(31-25)12-17-5-4-9-26-14-17)6-7-21(20)28-24(23)18-8-10-27-16(3)11-18/h4-11,13-15,28H,12H2,1-3H3.
What are the key properties of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(pyridin-3-ylmethyl)-1,3,4-oxadiazole?
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(pyridin-3-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 409.49 g/mol, XLogP of 5.70, 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-(pyridin-3-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 154639961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).