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

C25H28FN5O — CID 134329843

IUPAC3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(Cc5ncon5)CC4)cc3c2C(C)C)c(F)cn1
InChIInChI=1S/C25H28FN5O/c1-15(2)24-20-11-18(17-6-8-31(9-7-17)13-23-28-14-32-30-23)4-5-22(20)29-25(24)19-10-16(3)27-12-21(19)26/h4-5,10-12,14-15,17,29H,6-9,13H2,1-3H3
InChIKeyDHZMRVOLVWZLSQ-UHFFFAOYSA-N
MW433.53 g/mol
LogP5.56
Rot. Bonds5

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

3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 134329843) has the molecular formula C25H28FN5O and a molecular weight of 433.53 g/mol. Its IUPAC name is 3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID134329843
Molecular FormulaC25H28FN5O
Molecular Weight433.53 g/mol
Exact Mass433.23
IUPAC Name3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(Cc5ncon5)CC4)cc3c2C(C)C)c(F)cn1
InChIInChI=1S/C25H28FN5O/c1-15(2)24-20-11-18(17-6-8-31(9-7-17)13-23-28-14-32-30-23)4-5-22(20)29-25(24)19-10-16(3)27-12-21(19)26/h4-5,10-12,14-15,17,29H,6-9,13H2,1-3H3
InChIKeyDHZMRVOLVWZLSQ-UHFFFAOYSA-N
XLogP5.56
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-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 3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 134329843) is 3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is Cc1cc(-c2[nH]c3ccc(C4CCN(Cc5ncon5)CC4)cc3c2C(C)C)c(F)cn1.
What is the InChIKey of 3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is DHZMRVOLVWZLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O/c1-15(2)24-20-11-18(17-6-8-31(9-7-17)13-23-28-14-32-30-23)4-5-22(20)29-25(24)19-10-16(3)27-12-21(19)26/h4-5,10-12,14-15,17,29H,6-9,13H2,1-3H3.
What are the key properties of 3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 433.53 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(5-fluoro-2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 134329843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).