1-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole

C24H28N4 — CID 18706801

IUPAC1-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole
SMILESCn1nc(N2CCN(CCc3ccccc3)CC2)c2c1-c1ccccc1CC2
InChIInChI=1S/C24H28N4/c1-26-23-21-10-6-5-9-20(21)11-12-22(23)24(25-26)28-17-15-27(16-18-28)14-13-19-7-3-2-4-8-19/h2-10H,11-18H2,1H3
InChIKeyXTJRNMKQBGNYTI-UHFFFAOYSA-N
MW372.52 g/mol
LogP3.55
Rot. Bonds4

About 1-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole

1-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole (PubChem CID 18706801) has the molecular formula C24H28N4 and a molecular weight of 372.52 g/mol. Its IUPAC name is 1-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole.

Molecular Properties

Compound Name1-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole
PubChem CID18706801
Molecular FormulaC24H28N4
Molecular Weight372.52 g/mol
Exact Mass372.23
IUPAC Name1-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole
SMILESCn1nc(N2CCN(CCc3ccccc3)CC2)c2c1-c1ccccc1CC2
InChIInChI=1S/C24H28N4/c1-26-23-21-10-6-5-9-20(21)11-12-22(23)24(25-26)28-17-15-27(16-18-28)14-13-19-7-3-2-4-8-19/h2-10H,11-18H2,1H3
InChIKeyXTJRNMKQBGNYTI-UHFFFAOYSA-N
XLogP3.55
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-{4-[2-(2-Chloro-phenyl)-ethyl]-piperazin-1-yl}-4,5-dihydro-1H-benzo[g]indazole
CID 10023466
N-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-3H-benzo[e]indazol-1-amine
CID 155518775
2-[1-(6-Benzyl-4,5-dimethylpyridazin-3-yl)piperidin-4-yl]-1,3-dihydroisoindole
CID 59191596
1-benzyl-4,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine
CID 6538891
4-[(4-fluorophenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 134806173
4-benzyl-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 134805841
2-methyl-4-(3-methylbutyl)-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 134806170
2-methyl-4-(3-methylbutyl)-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 134806834
4-(cyclopropylmethyl)-2-methyl-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 134808914
3,5-Dimethyl-7-phenyl-1,3,4,8-tetrazatricyclo[8.4.0.02,6]tetradeca-2(6),4,7-triene
CID 12751416
2-methyl-4-[(6-methyl-2-pyridinyl)methyl]-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 134806175
2-Methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole
CID 18706794

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole?
The IUPAC name of 1-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole (CID 18706801) is 1-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole.
What is the SMILES notation for 1-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole?
The canonical SMILES for 1-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole is Cn1nc(N2CCN(CCc3ccccc3)CC2)c2c1-c1ccccc1CC2.
What is the InChIKey of 1-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole?
The InChIKey is XTJRNMKQBGNYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4/c1-26-23-21-10-6-5-9-20(21)11-12-22(23)24(25-26)28-17-15-27(16-18-28)14-13-19-7-3-2-4-8-19/h2-10H,11-18H2,1H3.
What are the key properties of 1-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole?
1-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole has a molecular weight of 372.52 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole is sourced from PubChem (CID 18706801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).