1-[4-[[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone

C22H23N5O — CID 135559055

IUPAC1-[4-[[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccc3[nH]c(-c4n[nH]c5ccccc45)cc3c2)CC1
InChIInChI=1S/C22H23N5O/c1-15(28)27-10-8-26(9-11-27)14-16-6-7-19-17(12-16)13-21(23-19)22-18-4-2-3-5-20(18)24-25-22/h2-7,12-13,23H,8-11,14H2,1H3,(H,24,25)
InChIKeyFMCNKJWGCWYRLB-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.38
Rot. Bonds3

About 1-[4-[[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone

1-[4-[[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 135559055) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[4-[[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone
PubChem CID135559055
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name1-[4-[[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccc3[nH]c(-c4n[nH]c5ccccc45)cc3c2)CC1
InChIInChI=1S/C22H23N5O/c1-15(28)27-10-8-26(9-11-27)14-16-6-7-19-17(12-16)13-21(23-19)22-18-4-2-3-5-20(18)24-25-22/h2-7,12-13,23H,8-11,14H2,1H3,(H,24,25)
InChIKeyFMCNKJWGCWYRLB-UHFFFAOYSA-N
XLogP3.38
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone (CID 135559055) is 1-[4-[[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2ccc3[nH]c(-c4n[nH]c5ccccc45)cc3c2)CC1.
What is the InChIKey of 1-[4-[[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is FMCNKJWGCWYRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-15(28)27-10-8-26(9-11-27)14-16-6-7-19-17(12-16)13-21(23-19)22-18-4-2-3-5-20(18)24-25-22/h2-7,12-13,23H,8-11,14H2,1H3,(H,24,25).
What are the key properties of 1-[4-[[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone?
1-[4-[[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 373.46 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 135559055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).