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

C25H29N5O — CID 154639976

IUPAC2-(1-methylpiperidin-3-yl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(C5CCCN(C)C5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C25H29N5O/c1-15(2)22-20-13-18(24-28-29-25(31-24)19-6-5-11-30(4)14-19)7-8-21(20)27-23(22)17-9-10-26-16(3)12-17/h7-10,12-13,15,19,27H,5-6,11,14H2,1-4H3
InChIKeyDZFBSUZMGSCPHY-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.52
Rot. Bonds4

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

2-(1-methylpiperidin-3-yl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole (PubChem CID 154639976) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole
PubChem CID154639976
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name2-(1-methylpiperidin-3-yl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(C5CCCN(C)C5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C25H29N5O/c1-15(2)22-20-13-18(24-28-29-25(31-24)19-6-5-11-30(4)14-19)7-8-21(20)27-23(22)17-9-10-26-16(3)12-17/h7-10,12-13,15,19,27H,5-6,11,14H2,1-4H3
InChIKeyDZFBSUZMGSCPHY-UHFFFAOYSA-N
XLogP5.52
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-3-yl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(1-methylpiperidin-3-yl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole (CID 154639976) is 2-(1-methylpiperidin-3-yl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole is Cc1cc(-c2[nH]c3ccc(-c4nnc(C5CCCN(C)C5)o4)cc3c2C(C)C)ccn1.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole?
The InChIKey is DZFBSUZMGSCPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-15(2)22-20-13-18(24-28-29-25(31-24)19-6-5-11-30(4)14-19)7-8-21(20)27-23(22)17-9-10-26-16(3)12-17/h7-10,12-13,15,19,27H,5-6,11,14H2,1-4H3.
What are the key properties of 2-(1-methylpiperidin-3-yl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole?
2-(1-methylpiperidin-3-yl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole has a molecular weight of 415.54 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 154639976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).