2-[(3R)-piperidin-3-yl]-5-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-indol-5-yl]-1,3,4-oxadiazole

C24H25N7O — CID 154639935

IUPAC2-[(3R)-piperidin-3-yl]-5-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-indol-5-yl]-1,3,4-oxadiazole
SMILESCC(C)c1c(-c2ccc3ncnn3c2)[nH]c2ccc(-c3nnc([C@@H]4CCCNC4)o3)cc12
InChIInChI=1S/C24H25N7O/c1-14(2)21-18-10-15(23-29-30-24(32-23)16-4-3-9-25-11-16)5-7-19(18)28-22(21)17-6-8-20-26-13-27-31(20)12-17/h5-8,10,12-14,16,25,28H,3-4,9,11H2,1-2H3/t16-/m1/s1
InChIKeyIYFXNBMGJCFABF-MRXNPFEDSA-N
MW427.51 g/mol
LogP4.52
Rot. Bonds4

About 2-[(3R)-piperidin-3-yl]-5-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-indol-5-yl]-1,3,4-oxadiazole

2-[(3R)-piperidin-3-yl]-5-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-indol-5-yl]-1,3,4-oxadiazole (PubChem CID 154639935) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-[(3R)-piperidin-3-yl]-5-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-indol-5-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3R)-piperidin-3-yl]-5-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-indol-5-yl]-1,3,4-oxadiazole
PubChem CID154639935
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name2-[(3R)-piperidin-3-yl]-5-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-indol-5-yl]-1,3,4-oxadiazole
SMILESCC(C)c1c(-c2ccc3ncnn3c2)[nH]c2ccc(-c3nnc([C@@H]4CCCNC4)o3)cc12
InChIInChI=1S/C24H25N7O/c1-14(2)21-18-10-15(23-29-30-24(32-23)16-4-3-9-25-11-16)5-7-19(18)28-22(21)17-6-8-20-26-13-27-31(20)12-17/h5-8,10,12-14,16,25,28H,3-4,9,11H2,1-2H3/t16-/m1/s1
InChIKeyIYFXNBMGJCFABF-MRXNPFEDSA-N
XLogP4.52
TPSA96.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(3R)-piperidin-3-yl]-5-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-indol-5-yl]-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-piperidin-3-yl]-5-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-indol-5-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(3R)-piperidin-3-yl]-5-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-indol-5-yl]-1,3,4-oxadiazole (CID 154639935) is 2-[(3R)-piperidin-3-yl]-5-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-indol-5-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3R)-piperidin-3-yl]-5-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-indol-5-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3R)-piperidin-3-yl]-5-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-indol-5-yl]-1,3,4-oxadiazole is CC(C)c1c(-c2ccc3ncnn3c2)[nH]c2ccc(-c3nnc([C@@H]4CCCNC4)o3)cc12.
What is the InChIKey of 2-[(3R)-piperidin-3-yl]-5-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-indol-5-yl]-1,3,4-oxadiazole?
The InChIKey is IYFXNBMGJCFABF-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H25N7O/c1-14(2)21-18-10-15(23-29-30-24(32-23)16-4-3-9-25-11-16)5-7-19(18)28-22(21)17-6-8-20-26-13-27-31(20)12-17/h5-8,10,12-14,16,25,28H,3-4,9,11H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-[(3R)-piperidin-3-yl]-5-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-indol-5-yl]-1,3,4-oxadiazole?
2-[(3R)-piperidin-3-yl]-5-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-indol-5-yl]-1,3,4-oxadiazole has a molecular weight of 427.51 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-piperidin-3-yl]-5-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-indol-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 154639935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).