propan-2-yl 2-[1-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]acetate

C26H29N5O4 — CID 158766134

IUPACpropan-2-yl 2-[1-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]acetate
SMILESCc1noc(N2CCC(Oc3ccc(-n4ccc5cc(CC(=O)OC(C)C)ccc54)nc3)CC2)n1
InChIInChI=1S/C26H29N5O4/c1-17(2)33-25(32)15-19-4-6-23-20(14-19)8-13-31(23)24-7-5-22(16-27-24)34-21-9-11-30(12-10-21)26-28-18(3)29-35-26/h4-8,13-14,16-17,21H,9-12,15H2,1-3H3
InChIKeyIPHAFZOYXIZXSZ-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.26
Rot. Bonds7

About propan-2-yl 2-[1-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]acetate

propan-2-yl 2-[1-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]acetate (PubChem CID 158766134) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is propan-2-yl 2-[1-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[1-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]acetate
PubChem CID158766134
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC Namepropan-2-yl 2-[1-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]acetate
SMILESCc1noc(N2CCC(Oc3ccc(-n4ccc5cc(CC(=O)OC(C)C)ccc54)nc3)CC2)n1
InChIInChI=1S/C26H29N5O4/c1-17(2)33-25(32)15-19-4-6-23-20(14-19)8-13-31(23)24-7-5-22(16-27-24)34-21-9-11-30(12-10-21)26-28-18(3)29-35-26/h4-8,13-14,16-17,21H,9-12,15H2,1-3H3
InChIKeyIPHAFZOYXIZXSZ-UHFFFAOYSA-N
XLogP4.26
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[1-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]acetate?
The IUPAC name of propan-2-yl 2-[1-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]acetate (CID 158766134) is propan-2-yl 2-[1-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[1-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]acetate?
The canonical SMILES for propan-2-yl 2-[1-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]acetate is Cc1noc(N2CCC(Oc3ccc(-n4ccc5cc(CC(=O)OC(C)C)ccc54)nc3)CC2)n1.
What is the InChIKey of propan-2-yl 2-[1-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]acetate?
The InChIKey is IPHAFZOYXIZXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-17(2)33-25(32)15-19-4-6-23-20(14-19)8-13-31(23)24-7-5-22(16-27-24)34-21-9-11-30(12-10-21)26-28-18(3)29-35-26/h4-8,13-14,16-17,21H,9-12,15H2,1-3H3.
What are the key properties of propan-2-yl 2-[1-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]acetate?
propan-2-yl 2-[1-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]acetate has a molecular weight of 475.55 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[1-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]acetate is sourced from PubChem (CID 158766134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).