5-[4-[2-(5-cyano-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide

C24H23N5O2 — CID 58656079

IUPAC5-[4-[2-(5-cyano-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
SMILESN#Cc1ccc2[nH]cc(CCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1
InChIInChI=1S/C24H23N5O2/c25-14-16-1-3-21-20(11-16)17(15-27-21)5-6-28-7-9-29(10-8-28)19-2-4-22-18(12-19)13-23(31-22)24(26)30/h1-4,11-13,15,27H,5-10H2,(H2,26,30)
InChIKeyDVIRQRIUHWZWQO-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.25
Rot. Bonds5

About 5-[4-[2-(5-cyano-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide

5-[4-[2-(5-cyano-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide (PubChem CID 58656079) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 5-[4-[2-(5-cyano-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-[4-[2-(5-cyano-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
PubChem CID58656079
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name5-[4-[2-(5-cyano-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
SMILESN#Cc1ccc2[nH]cc(CCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1
InChIInChI=1S/C24H23N5O2/c25-14-16-1-3-21-20(11-16)17(15-27-21)5-6-28-7-9-29(10-8-28)19-2-4-22-18(12-19)13-23(31-22)24(26)30/h1-4,11-13,15,27H,5-10H2,(H2,26,30)
InChIKeyDVIRQRIUHWZWQO-UHFFFAOYSA-N
XLogP3.25
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(5-cyano-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-[4-[2-(5-cyano-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide (CID 58656079) is 5-[4-[2-(5-cyano-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-[4-[2-(5-cyano-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-[4-[2-(5-cyano-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide is N#Cc1ccc2[nH]cc(CCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1.
What is the InChIKey of 5-[4-[2-(5-cyano-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide?
The InChIKey is DVIRQRIUHWZWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c25-14-16-1-3-21-20(11-16)17(15-27-21)5-6-28-7-9-29(10-8-28)19-2-4-22-18(12-19)13-23(31-22)24(26)30/h1-4,11-13,15,27H,5-10H2,(H2,26,30).
What are the key properties of 5-[4-[2-(5-cyano-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide?
5-[4-[2-(5-cyano-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(5-cyano-1H-indol-3-yl)ethyl]piperazin-1-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 58656079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).