5-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1-methylindazole

C24H25ClN6O — CID 171678776

IUPAC5-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1-methylindazole
SMILESCn1ncc2cc(CN3CCN(c4cncc(OCc5cccc(Cl)c5)n4)CC3)ccc21
InChIInChI=1S/C24H25ClN6O/c1-29-22-6-5-18(11-20(22)13-27-29)16-30-7-9-31(10-8-30)23-14-26-15-24(28-23)32-17-19-3-2-4-21(25)12-19/h2-6,11-15H,7-10,16-17H2,1H3
InChIKeyZUXATTBNBRNCAO-UHFFFAOYSA-N
MW448.96 g/mol
LogP3.92
Rot. Bonds6

About 5-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1-methylindazole

5-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1-methylindazole (PubChem CID 171678776) has the molecular formula C24H25ClN6O and a molecular weight of 448.96 g/mol. Its IUPAC name is 5-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1-methylindazole.

Molecular Properties

Compound Name5-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1-methylindazole
PubChem CID171678776
Molecular FormulaC24H25ClN6O
Molecular Weight448.96 g/mol
Exact Mass448.18
IUPAC Name5-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1-methylindazole
SMILESCn1ncc2cc(CN3CCN(c4cncc(OCc5cccc(Cl)c5)n4)CC3)ccc21
InChIInChI=1S/C24H25ClN6O/c1-29-22-6-5-18(11-20(22)13-27-29)16-30-7-9-31(10-8-30)23-14-26-15-24(28-23)32-17-19-3-2-4-21(25)12-19/h2-6,11-15H,7-10,16-17H2,1H3
InChIKeyZUXATTBNBRNCAO-UHFFFAOYSA-N
XLogP3.92
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.96
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1H-benzimidazole
CID 171678769
1-methyl-5-[(4-methylpiperazin-1-yl)methyl]indazole
CID 145145756
1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid
CID 122048524
4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
CID 133365129
6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 133358244
4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-1,9-dioxa-4-azaspiro[5.5]undecane
CID 133378215
1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-5-methoxypiperidine-3-carboxylic acid
CID 167949849
2-[(3,5-dichlorophenyl)methoxy]-6-piperazin-1-ylpyrazine
CID 22482026
6-[(3-chlorophenyl)methoxy]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 133405618
1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine
CID 133358248
6-(4-benzylpiperazin-1-yl)pyrazin-2-amine
CID 78988890
6-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 122052717

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1-methylindazole?
The IUPAC name of 5-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1-methylindazole (CID 171678776) is 5-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1-methylindazole.
What is the SMILES notation for 5-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1-methylindazole?
The canonical SMILES for 5-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1-methylindazole is Cn1ncc2cc(CN3CCN(c4cncc(OCc5cccc(Cl)c5)n4)CC3)ccc21.
What is the InChIKey of 5-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1-methylindazole?
The InChIKey is ZUXATTBNBRNCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O/c1-29-22-6-5-18(11-20(22)13-27-29)16-30-7-9-31(10-8-30)23-14-26-15-24(28-23)32-17-19-3-2-4-21(25)12-19/h2-6,11-15H,7-10,16-17H2,1H3.
What are the key properties of 5-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1-methylindazole?
5-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1-methylindazole has a molecular weight of 448.96 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]methyl]-1-methylindazole is sourced from PubChem (CID 171678776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).