6-[4-(azetidin-3-yl)piperazin-1-yl]-3-methoxy-1-phenylindazole

C21H25N5O — CID 58483580

IUPAC6-[4-(azetidin-3-yl)piperazin-1-yl]-3-methoxy-1-phenylindazole
SMILESCOc1nn(-c2ccccc2)c2cc(N3CCN(C4CNC4)CC3)ccc12
InChIInChI=1S/C21H25N5O/c1-27-21-19-8-7-17(24-9-11-25(12-10-24)18-14-22-15-18)13-20(19)26(23-21)16-5-3-2-4-6-16/h2-8,13,18,22H,9-12,14-15H2,1H3
InChIKeyYKSRWTREKFYHTD-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.13
Rot. Bonds4

About 6-[4-(azetidin-3-yl)piperazin-1-yl]-3-methoxy-1-phenylindazole

6-[4-(azetidin-3-yl)piperazin-1-yl]-3-methoxy-1-phenylindazole (PubChem CID 58483580) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 6-[4-(azetidin-3-yl)piperazin-1-yl]-3-methoxy-1-phenylindazole.

Molecular Properties

Compound Name6-[4-(azetidin-3-yl)piperazin-1-yl]-3-methoxy-1-phenylindazole
PubChem CID58483580
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name6-[4-(azetidin-3-yl)piperazin-1-yl]-3-methoxy-1-phenylindazole
SMILESCOc1nn(-c2ccccc2)c2cc(N3CCN(C4CNC4)CC3)ccc12
InChIInChI=1S/C21H25N5O/c1-27-21-19-8-7-17(24-9-11-25(12-10-24)18-14-22-15-18)13-20(19)26(23-21)16-5-3-2-4-6-16/h2-8,13,18,22H,9-12,14-15H2,1H3
InChIKeyYKSRWTREKFYHTD-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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Frequently Asked Questions

What is the IUPAC name of 6-[4-(azetidin-3-yl)piperazin-1-yl]-3-methoxy-1-phenylindazole?
The IUPAC name of 6-[4-(azetidin-3-yl)piperazin-1-yl]-3-methoxy-1-phenylindazole (CID 58483580) is 6-[4-(azetidin-3-yl)piperazin-1-yl]-3-methoxy-1-phenylindazole.
What is the SMILES notation for 6-[4-(azetidin-3-yl)piperazin-1-yl]-3-methoxy-1-phenylindazole?
The canonical SMILES for 6-[4-(azetidin-3-yl)piperazin-1-yl]-3-methoxy-1-phenylindazole is COc1nn(-c2ccccc2)c2cc(N3CCN(C4CNC4)CC3)ccc12.
What is the InChIKey of 6-[4-(azetidin-3-yl)piperazin-1-yl]-3-methoxy-1-phenylindazole?
The InChIKey is YKSRWTREKFYHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-27-21-19-8-7-17(24-9-11-25(12-10-24)18-14-22-15-18)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 6-[4-(azetidin-3-yl)piperazin-1-yl]-3-methoxy-1-phenylindazole?
6-[4-(azetidin-3-yl)piperazin-1-yl]-3-methoxy-1-phenylindazole 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 6-[4-(azetidin-3-yl)piperazin-1-yl]-3-methoxy-1-phenylindazole is sourced from PubChem (CID 58483580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).