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

C25H25N5O2 — CID 10127164

IUPAC5-[4-[3-(3-cyano-1H-indol-5-yl)propyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
SMILESN#Cc1c[nH]c2ccc(CCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)cc12
InChIInChI=1S/C25H25N5O2/c26-15-19-16-28-22-5-3-17(12-21(19)22)2-1-7-29-8-10-30(11-9-29)20-4-6-23-18(13-20)14-24(32-23)25(27)31/h3-6,12-14,16,28H,1-2,7-11H2,(H2,27,31)
InChIKeyQPLROEKPKXETSR-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.64
Rot. Bonds6

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

5-[4-[3-(3-cyano-1H-indol-5-yl)propyl]piperazin-1-yl]-1-benzofuran-2-carboxamide (PubChem CID 10127164) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 5-[4-[3-(3-cyano-1H-indol-5-yl)propyl]piperazin-1-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-[4-[3-(3-cyano-1H-indol-5-yl)propyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
PubChem CID10127164
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name5-[4-[3-(3-cyano-1H-indol-5-yl)propyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
SMILESN#Cc1c[nH]c2ccc(CCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)cc12
InChIInChI=1S/C25H25N5O2/c26-15-19-16-28-22-5-3-17(12-21(19)22)2-1-7-29-8-10-30(11-9-29)20-4-6-23-18(13-20)14-24(32-23)25(27)31/h3-6,12-14,16,28H,1-2,7-11H2,(H2,27,31)
InChIKeyQPLROEKPKXETSR-UHFFFAOYSA-N
XLogP3.64
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(3-cyano-1H-indol-5-yl)propyl]piperazin-1-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-[4-[3-(3-cyano-1H-indol-5-yl)propyl]piperazin-1-yl]-1-benzofuran-2-carboxamide (CID 10127164) is 5-[4-[3-(3-cyano-1H-indol-5-yl)propyl]piperazin-1-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-[4-[3-(3-cyano-1H-indol-5-yl)propyl]piperazin-1-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-[4-[3-(3-cyano-1H-indol-5-yl)propyl]piperazin-1-yl]-1-benzofuran-2-carboxamide is N#Cc1c[nH]c2ccc(CCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)cc12.
What is the InChIKey of 5-[4-[3-(3-cyano-1H-indol-5-yl)propyl]piperazin-1-yl]-1-benzofuran-2-carboxamide?
The InChIKey is QPLROEKPKXETSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c26-15-19-16-28-22-5-3-17(12-21(19)22)2-1-7-29-8-10-30(11-9-29)20-4-6-23-18(13-20)14-24(32-23)25(27)31/h3-6,12-14,16,28H,1-2,7-11H2,(H2,27,31).
What are the key properties of 5-[4-[3-(3-cyano-1H-indol-5-yl)propyl]piperazin-1-yl]-1-benzofuran-2-carboxamide?
5-[4-[3-(3-cyano-1H-indol-5-yl)propyl]piperazin-1-yl]-1-benzofuran-2-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(3-cyano-1H-indol-5-yl)propyl]piperazin-1-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 10127164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).