3-methoxy-1-phenyl-6-(3-piperazin-1-ylazetidin-1-yl)indazole

C21H25N5O — CID 58483590

IUPAC3-methoxy-1-phenyl-6-(3-piperazin-1-ylazetidin-1-yl)indazole
SMILESCOc1nn(-c2ccccc2)c2cc(N3CC(N4CCNCC4)C3)ccc12
InChIInChI=1S/C21H25N5O/c1-27-21-19-8-7-17(25-14-18(15-25)24-11-9-22-10-12-24)13-20(19)26(23-21)16-5-3-2-4-6-16/h2-8,13,18,22H,9-12,14-15H2,1H3
InChIKeyBRINLJSKWIJEIB-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.13
Rot. Bonds4

About 3-methoxy-1-phenyl-6-(3-piperazin-1-ylazetidin-1-yl)indazole

3-methoxy-1-phenyl-6-(3-piperazin-1-ylazetidin-1-yl)indazole (PubChem CID 58483590) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 3-methoxy-1-phenyl-6-(3-piperazin-1-ylazetidin-1-yl)indazole.

Molecular Properties

Compound Name3-methoxy-1-phenyl-6-(3-piperazin-1-ylazetidin-1-yl)indazole
PubChem CID58483590
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name3-methoxy-1-phenyl-6-(3-piperazin-1-ylazetidin-1-yl)indazole
SMILESCOc1nn(-c2ccccc2)c2cc(N3CC(N4CCNCC4)C3)ccc12
InChIInChI=1S/C21H25N5O/c1-27-21-19-8-7-17(25-14-18(15-25)24-11-9-22-10-12-24)13-20(19)26(23-21)16-5-3-2-4-6-16/h2-8,13,18,22H,9-12,14-15H2,1H3
InChIKeyBRINLJSKWIJEIB-UHFFFAOYSA-N
XLogP2.13
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-3-(1-phenylindazol-3-yl)oxypropan-1-amine
CID 200264
1-(2,6-Difluorophenyl)-3-piperidin-4-yloxyindazole
CID 11674313
3-Methoxy-1-phenyl-6-(4-piperidin-4-ylpiperazin-1-yl)indazole
CID 56677002
N-Methyl-3-((1-(phenylmethyl)-1H-indazol-3-yl)oxy)-1-propanamine
CID 57369683
3-Methoxy-1-phenyl-6-(4-pyrrolidin-3-ylpiperazin-1-yl)indazole
CID 58483619
1-(4-Methoxyphenyl)-3-methylsulfanyl-6-piperazin-1-ylindazole
CID 86767139
6-[4-(Azetidin-3-yl)piperazin-1-yl]-3-methoxy-1-phenylindazole
CID 58483580
3-Methoxy-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole
CID 58483620
3-Methoxy-1-phenyl-6-(4-pyridin-4-ylpiperazin-1-yl)indazole
CID 58483622
US9771375, Example 73
CID 117694322
N-[(4-methoxyphenyl)methyl]-1,3-dimethylindazol-6-amine
CID 172450789
1-(3-Methoxy-1-phenylindazol-6-yl)-3-piperidin-4-ylimidazolidin-2-one
CID 58483576

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-phenyl-6-(3-piperazin-1-ylazetidin-1-yl)indazole?
The IUPAC name of 3-methoxy-1-phenyl-6-(3-piperazin-1-ylazetidin-1-yl)indazole (CID 58483590) is 3-methoxy-1-phenyl-6-(3-piperazin-1-ylazetidin-1-yl)indazole.
What is the SMILES notation for 3-methoxy-1-phenyl-6-(3-piperazin-1-ylazetidin-1-yl)indazole?
The canonical SMILES for 3-methoxy-1-phenyl-6-(3-piperazin-1-ylazetidin-1-yl)indazole is COc1nn(-c2ccccc2)c2cc(N3CC(N4CCNCC4)C3)ccc12.
What is the InChIKey of 3-methoxy-1-phenyl-6-(3-piperazin-1-ylazetidin-1-yl)indazole?
The InChIKey is BRINLJSKWIJEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-27-21-19-8-7-17(25-14-18(15-25)24-11-9-22-10-12-24)13-20(19)26(23-21)16-5-3-2-4-6-16/h2-8,13,18,22H,9-12,14-15H2,1H3.
What are the key properties of 3-methoxy-1-phenyl-6-(3-piperazin-1-ylazetidin-1-yl)indazole?
3-methoxy-1-phenyl-6-(3-piperazin-1-ylazetidin-1-yl)indazole has a molecular weight of 363.47 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-phenyl-6-(3-piperazin-1-ylazetidin-1-yl)indazole is sourced from PubChem (CID 58483590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).