5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-naphthalen-2-yl-1H-indazole

C29H28N4O — CID 22260984

IUPAC5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-naphthalen-2-yl-1H-indazole
SMILESCOc1ccccc1N1CCN(Cc2ccc3[nH]nc(-c4ccc5ccccc5c4)c3c2)CC1
InChIInChI=1S/C29H28N4O/c1-34-28-9-5-4-8-27(28)33-16-14-32(15-17-33)20-21-10-13-26-25(18-21)29(31-30-26)24-12-11-22-6-2-3-7-23(22)19-24/h2-13,18-19H,14-17,20H2,1H3,(H,30,31)
InChIKeyUJIGGSCRFPQHQJ-UHFFFAOYSA-N
MW448.57 g/mol
LogP5.71
Rot. Bonds5

About 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-naphthalen-2-yl-1H-indazole

5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-naphthalen-2-yl-1H-indazole (PubChem CID 22260984) has the molecular formula C29H28N4O and a molecular weight of 448.57 g/mol. Its IUPAC name is 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-naphthalen-2-yl-1H-indazole.

Molecular Properties

Compound Name5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-naphthalen-2-yl-1H-indazole
PubChem CID22260984
Molecular FormulaC29H28N4O
Molecular Weight448.57 g/mol
Exact Mass448.23
IUPAC Name5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-naphthalen-2-yl-1H-indazole
SMILESCOc1ccccc1N1CCN(Cc2ccc3[nH]nc(-c4ccc5ccccc5c4)c3c2)CC1
InChIInChI=1S/C29H28N4O/c1-34-28-9-5-4-8-27(28)33-16-14-32(15-17-33)20-21-10-13-26-25(18-21)29(31-30-26)24-12-11-22-6-2-3-7-23(22)19-24/h2-13,18-19H,14-17,20H2,1H3,(H,30,31)
InChIKeyUJIGGSCRFPQHQJ-UHFFFAOYSA-N
XLogP5.71
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-indazole
CID 166277175
1-[(2-methoxyphenyl)methyl]-4-(naphthalen-2-ylmethyl)piperazine
CID 876499
1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
1-(2-methoxyphenyl)-4-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperazine
CID 14198545
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 4826311
1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
CID 155941923
3-(7-methoxynaphthalen-2-yl)-5-[5-(piperidin-1-ylmethyl)-1,2-dihydrotriazol-3-yl]-1H-indazole
CID 68906037
(2,6-dimethoxyphenyl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 1126126
1-(2-methoxyphenyl)-4-[(5-phenyl-3-pyridinyl)methyl]piperazine;1-(2-methoxyphenyl)piperazine;dihydrate;trihydrochloride
CID 159209480
[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl] N-methylcarbamate;hydrochloride
CID 142647330
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 8687109
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-naphthalen-2-yl-1H-indazole?
The IUPAC name of 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-naphthalen-2-yl-1H-indazole (CID 22260984) is 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-naphthalen-2-yl-1H-indazole.
What is the SMILES notation for 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-naphthalen-2-yl-1H-indazole?
The canonical SMILES for 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-naphthalen-2-yl-1H-indazole is COc1ccccc1N1CCN(Cc2ccc3[nH]nc(-c4ccc5ccccc5c4)c3c2)CC1.
What is the InChIKey of 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-naphthalen-2-yl-1H-indazole?
The InChIKey is UJIGGSCRFPQHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O/c1-34-28-9-5-4-8-27(28)33-16-14-32(15-17-33)20-21-10-13-26-25(18-21)29(31-30-26)24-12-11-22-6-2-3-7-23(22)19-24/h2-13,18-19H,14-17,20H2,1H3,(H,30,31).
What are the key properties of 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-naphthalen-2-yl-1H-indazole?
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-naphthalen-2-yl-1H-indazole has a molecular weight of 448.57 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-naphthalen-2-yl-1H-indazole is sourced from PubChem (CID 22260984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).