[4-(2,5-dichlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone

C18H16Cl2N4O — CID 166328389

IUPAC[4-(2,5-dichlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
SMILESO=C(c1cccc2[nH]ncc12)N1CCN(c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C18H16Cl2N4O/c19-12-4-5-15(20)17(10-12)23-6-8-24(9-7-23)18(25)13-2-1-3-16-14(13)11-21-22-16/h1-5,10-11H,6-9H2,(H,21,22)
InChIKeyPDPJFNIZSBPWDT-UHFFFAOYSA-N
MW375.26 g/mol
LogP3.83
Rot. Bonds2

About [4-(2,5-dichlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone

[4-(2,5-dichlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone (PubChem CID 166328389) has the molecular formula C18H16Cl2N4O and a molecular weight of 375.26 g/mol. Its IUPAC name is [4-(2,5-dichlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2,5-dichlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
PubChem CID166328389
Molecular FormulaC18H16Cl2N4O
Molecular Weight375.26 g/mol
Exact Mass374.07
IUPAC Name[4-(2,5-dichlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
SMILESO=C(c1cccc2[nH]ncc12)N1CCN(c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C18H16Cl2N4O/c19-12-4-5-15(20)17(10-12)23-6-8-24(9-7-23)18(25)13-2-1-3-16-14(13)11-21-22-16/h1-5,10-11H,6-9H2,(H,21,22)
InChIKeyPDPJFNIZSBPWDT-UHFFFAOYSA-N
XLogP3.83
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-chlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 166189721
[4-(3-hydroxyphenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 166229211
1H-indazol-4-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 166207015
[4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 110468728
1H-indazol-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 166207032
[4-(2,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080273
(2-chloro-5-nitrophenyl)-[4-(2,5-dichlorophenyl)piperazin-1-yl]methanone
CID 165435939
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-4-yl)methanone
CID 71824781
1H-indazol-4-yl-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 166207018
S-methyl 4-(6-chloro-1H-indazol-4-yl)piperazine-1-carbothioate
CID 146647514
N-(4-chlorophenyl)-1-(1H-indazole-4-carbonyl)piperidine-3-carboxamide
CID 121317957
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone
CID 16596749

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dichlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone?
The IUPAC name of [4-(2,5-dichlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone (CID 166328389) is [4-(2,5-dichlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone.
What is the SMILES notation for [4-(2,5-dichlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone?
The canonical SMILES for [4-(2,5-dichlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone is O=C(c1cccc2[nH]ncc12)N1CCN(c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of [4-(2,5-dichlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone?
The InChIKey is PDPJFNIZSBPWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O/c19-12-4-5-15(20)17(10-12)23-6-8-24(9-7-23)18(25)13-2-1-3-16-14(13)11-21-22-16/h1-5,10-11H,6-9H2,(H,21,22).
What are the key properties of [4-(2,5-dichlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone?
[4-(2,5-dichlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone has a molecular weight of 375.26 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dichlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone is sourced from PubChem (CID 166328389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).