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

C22H23N5OS — CID 154639960

IUPAC2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(4R)-1,3-thiazolidin-4-yl]-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc([C@@H]5CSCN5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C22H23N5OS/c1-12(2)19-16-9-15(21-26-27-22(28-21)18-10-29-11-24-18)4-5-17(16)25-20(19)14-6-7-23-13(3)8-14/h4-9,12,18,24-25H,10-11H2,1-3H3/t18-/m0/s1
InChIKeyCQZNWZZJPLULOM-SFHVURJKSA-N
MW405.53 g/mol
LogP5.05
Rot. Bonds4

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

2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(4R)-1,3-thiazolidin-4-yl]-1,3,4-oxadiazole (PubChem CID 154639960) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(4R)-1,3-thiazolidin-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(4R)-1,3-thiazolidin-4-yl]-1,3,4-oxadiazole
PubChem CID154639960
Molecular FormulaC22H23N5OS
Molecular Weight405.53 g/mol
Exact Mass405.16
IUPAC Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(4R)-1,3-thiazolidin-4-yl]-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc([C@@H]5CSCN5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C22H23N5OS/c1-12(2)19-16-9-15(21-26-27-22(28-21)18-10-29-11-24-18)4-5-17(16)25-20(19)14-6-7-23-13(3)8-14/h4-9,12,18,24-25H,10-11H2,1-3H3/t18-/m0/s1
InChIKeyCQZNWZZJPLULOM-SFHVURJKSA-N
XLogP5.05
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.53
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-[(4R)-1,3-thiazolidin-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(4R)-1,3-thiazolidin-4-yl]-1,3,4-oxadiazole (CID 154639960) is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(4R)-1,3-thiazolidin-4-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-[(4R)-1,3-thiazolidin-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(4R)-1,3-thiazolidin-4-yl]-1,3,4-oxadiazole is Cc1cc(-c2[nH]c3ccc(-c4nnc([C@@H]5CSCN5)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-[(4R)-1,3-thiazolidin-4-yl]-1,3,4-oxadiazole?
The InChIKey is CQZNWZZJPLULOM-SFHVURJKSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-12(2)19-16-9-15(21-26-27-22(28-21)18-10-29-11-24-18)4-5-17(16)25-20(19)14-6-7-23-13(3)8-14/h4-9,12,18,24-25H,10-11H2,1-3H3/t18-/m0/s1.
What are the key properties of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(4R)-1,3-thiazolidin-4-yl]-1,3,4-oxadiazole?
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(4R)-1,3-thiazolidin-4-yl]-1,3,4-oxadiazole has a molecular weight of 405.53 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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-[(4R)-1,3-thiazolidin-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 154639960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).