[3-(2-chlorophenyl)piperazin-1-yl]-(1H-indazol-7-yl)methanone

C18H17ClN4O — CID 126799294

IUPAC[3-(2-chlorophenyl)piperazin-1-yl]-(1H-indazol-7-yl)methanone
SMILESO=C(c1cccc2cn[nH]c12)N1CCNC(c2ccccc2Cl)C1
InChIInChI=1S/C18H17ClN4O/c19-15-7-2-1-5-13(15)16-11-23(9-8-20-16)18(24)14-6-3-4-12-10-21-22-17(12)14/h1-7,10,16,20H,8-9,11H2,(H,21,22)
InChIKeyLMRSQXBCTAHZII-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.00
Rot. Bonds2

About [3-(2-chlorophenyl)piperazin-1-yl]-(1H-indazol-7-yl)methanone

[3-(2-chlorophenyl)piperazin-1-yl]-(1H-indazol-7-yl)methanone (PubChem CID 126799294) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is [3-(2-chlorophenyl)piperazin-1-yl]-(1H-indazol-7-yl)methanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)piperazin-1-yl]-(1H-indazol-7-yl)methanone
PubChem CID126799294
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name[3-(2-chlorophenyl)piperazin-1-yl]-(1H-indazol-7-yl)methanone
SMILESO=C(c1cccc2cn[nH]c12)N1CCNC(c2ccccc2Cl)C1
InChIInChI=1S/C18H17ClN4O/c19-15-7-2-1-5-13(15)16-11-23(9-8-20-16)18(24)14-6-3-4-12-10-21-22-17(12)14/h1-7,10,16,20H,8-9,11H2,(H,21,22)
InChIKeyLMRSQXBCTAHZII-UHFFFAOYSA-N
XLogP3.00
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)piperazine-1-carboxylic acid
CID 174410576
1H-indazol-7-yl-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95215460
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998
1H-indazol-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78847170
1H-indazol-7-yl(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 86859698
3-chloro-5-[3-(2-chlorophenyl)piperazine-1-carbonyl]-4-(3-methylanilino)pyridine-2-sulfonamide
CID 134346430
[3-(2-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 154755976
3-(2-chlorophenyl)piperazine-1-carbaldehyde
CID 174711160
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone
CID 37314320
(4-ethylphenyl)-[4-(1H-indazole-7-carbonyl)piperazin-1-yl]methanone
CID 32773251
(2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65449557
[2-(2-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indazol-7-yl)methanone
CID 120739788

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)piperazin-1-yl]-(1H-indazol-7-yl)methanone?
The IUPAC name of [3-(2-chlorophenyl)piperazin-1-yl]-(1H-indazol-7-yl)methanone (CID 126799294) is [3-(2-chlorophenyl)piperazin-1-yl]-(1H-indazol-7-yl)methanone.
What is the SMILES notation for [3-(2-chlorophenyl)piperazin-1-yl]-(1H-indazol-7-yl)methanone?
The canonical SMILES for [3-(2-chlorophenyl)piperazin-1-yl]-(1H-indazol-7-yl)methanone is O=C(c1cccc2cn[nH]c12)N1CCNC(c2ccccc2Cl)C1.
What is the InChIKey of [3-(2-chlorophenyl)piperazin-1-yl]-(1H-indazol-7-yl)methanone?
The InChIKey is LMRSQXBCTAHZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c19-15-7-2-1-5-13(15)16-11-23(9-8-20-16)18(24)14-6-3-4-12-10-21-22-17(12)14/h1-7,10,16,20H,8-9,11H2,(H,21,22).
What are the key properties of [3-(2-chlorophenyl)piperazin-1-yl]-(1H-indazol-7-yl)methanone?
[3-(2-chlorophenyl)piperazin-1-yl]-(1H-indazol-7-yl)methanone has a molecular weight of 340.81 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)piperazin-1-yl]-(1H-indazol-7-yl)methanone is sourced from PubChem (CID 126799294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).