[2-(4-chlorophenyl)-4-methylpiperazin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone

C20H21ClN4O — CID 118879399

IUPAC[2-(4-chlorophenyl)-4-methylpiperazin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone
SMILESCc1[nH]nc2ccc(C(=O)N3CCN(C)CC3c3ccc(Cl)cc3)cc12
InChIInChI=1S/C20H21ClN4O/c1-13-17-11-15(5-8-18(17)23-22-13)20(26)25-10-9-24(2)12-19(25)14-3-6-16(21)7-4-14/h3-8,11,19H,9-10,12H2,1-2H3,(H,22,23)
InChIKeyQLSTWYIPABBKKG-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.65
Rot. Bonds2

About [2-(4-chlorophenyl)-4-methylpiperazin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone

[2-(4-chlorophenyl)-4-methylpiperazin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone (PubChem CID 118879399) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-4-methylpiperazin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-4-methylpiperazin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone
PubChem CID118879399
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name[2-(4-chlorophenyl)-4-methylpiperazin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone
SMILESCc1[nH]nc2ccc(C(=O)N3CCN(C)CC3c3ccc(Cl)cc3)cc12
InChIInChI=1S/C20H21ClN4O/c1-13-17-11-15(5-8-18(17)23-22-13)20(26)25-10-9-24(2)12-19(25)14-3-6-16(21)7-4-14/h3-8,11,19H,9-10,12H2,1-2H3,(H,22,23)
InChIKeyQLSTWYIPABBKKG-UHFFFAOYSA-N
XLogP3.65
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-4-methylpiperazin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone?
The IUPAC name of [2-(4-chlorophenyl)-4-methylpiperazin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone (CID 118879399) is [2-(4-chlorophenyl)-4-methylpiperazin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone.
What is the SMILES notation for [2-(4-chlorophenyl)-4-methylpiperazin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone?
The canonical SMILES for [2-(4-chlorophenyl)-4-methylpiperazin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone is Cc1[nH]nc2ccc(C(=O)N3CCN(C)CC3c3ccc(Cl)cc3)cc12.
What is the InChIKey of [2-(4-chlorophenyl)-4-methylpiperazin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone?
The InChIKey is QLSTWYIPABBKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-13-17-11-15(5-8-18(17)23-22-13)20(26)25-10-9-24(2)12-19(25)14-3-6-16(21)7-4-14/h3-8,11,19H,9-10,12H2,1-2H3,(H,22,23).
What are the key properties of [2-(4-chlorophenyl)-4-methylpiperazin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone?
[2-(4-chlorophenyl)-4-methylpiperazin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone has a molecular weight of 368.87 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-4-methylpiperazin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone is sourced from PubChem (CID 118879399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).