1-[4-[[2-(6-chloro-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone

C22H22ClN5O — CID 135469498

IUPAC1-[4-[[2-(6-chloro-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccc3[nH]c(-c4n[nH]c5cc(Cl)ccc45)cc3c2)CC1
InChIInChI=1S/C22H22ClN5O/c1-14(29)28-8-6-27(7-9-28)13-15-2-5-19-16(10-15)11-21(24-19)22-18-4-3-17(23)12-20(18)25-26-22/h2-5,10-12,24H,6-9,13H2,1H3,(H,25,26)
InChIKeyWJWALEMEQDWNGN-UHFFFAOYSA-N
MW407.91 g/mol
LogP4.03
Rot. Bonds3

About 1-[4-[[2-(6-chloro-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone

1-[4-[[2-(6-chloro-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 135469498) has the molecular formula C22H22ClN5O and a molecular weight of 407.91 g/mol. Its IUPAC name is 1-[4-[[2-(6-chloro-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-(6-chloro-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone
PubChem CID135469498
Molecular FormulaC22H22ClN5O
Molecular Weight407.91 g/mol
Exact Mass407.15
IUPAC Name1-[4-[[2-(6-chloro-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccc3[nH]c(-c4n[nH]c5cc(Cl)ccc45)cc3c2)CC1
InChIInChI=1S/C22H22ClN5O/c1-14(29)28-8-6-27(7-9-28)13-15-2-5-19-16(10-15)11-21(24-19)22-18-4-3-17(23)12-20(18)25-26-22/h2-5,10-12,24H,6-9,13H2,1H3,(H,25,26)
InChIKeyWJWALEMEQDWNGN-UHFFFAOYSA-N
XLogP4.03
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.91
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[[2-(6-chloro-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-1H-indazole-3-carboxamide
CID 11191030
3-{5-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-2-yl}-1H-indazole-6-carbonitrile
CID 135468068
3-{5-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-2-yl}-6-(1H-tetraazol-5-yl)-1H-indazole
CID 135559054
1-(4-{[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl}piperazin-1-yl)ethan-1-one
CID 135559055
N-(3-chlorophenyl)-N'-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]propanediamide
CID 141764042
8-[3-chloro-5-(1H-indazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118730680
N-[1-(3-chlorophenyl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 127047178
1-(4-(3-(6-methyl-1H-indol-2-yl)-1H-indazol-5-ylamino)piperidin-1-yl)ethanone
CID 136030710
2-acetyl-1-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 10496241
US10660877, Example 125
CID 134329290
US10660877, Example 139
CID 139447351
2-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-5-methyl-1H-indole
CID 73351958

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(6-chloro-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[2-(6-chloro-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone (CID 135469498) is 1-[4-[[2-(6-chloro-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[2-(6-chloro-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[2-(6-chloro-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2ccc3[nH]c(-c4n[nH]c5cc(Cl)ccc45)cc3c2)CC1.
What is the InChIKey of 1-[4-[[2-(6-chloro-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is WJWALEMEQDWNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O/c1-14(29)28-8-6-27(7-9-28)13-15-2-5-19-16(10-15)11-21(24-19)22-18-4-3-17(23)12-20(18)25-26-22/h2-5,10-12,24H,6-9,13H2,1H3,(H,25,26).
What are the key properties of 1-[4-[[2-(6-chloro-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone?
1-[4-[[2-(6-chloro-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 407.91 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(6-chloro-1H-indazol-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 135469498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).