7-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole

C16H20N4O — CID 63048324

IUPAC7-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole
SMILESCOc1ccc2c(c1)CCc1c(N3CCNCC3)n[nH]c1-2
InChIInChI=1S/C16H20N4O/c1-21-12-3-5-13-11(10-12)2-4-14-15(13)18-19-16(14)20-8-6-17-7-9-20/h3,5,10,17H,2,4,6-9H2,1H3,(H,18,19)
InChIKeyXMADGMNJPSNNJR-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.59
Rot. Bonds2

About 7-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole

7-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole (PubChem CID 63048324) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 7-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole.

Molecular Properties

Compound Name7-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole
PubChem CID63048324
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name7-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole
SMILESCOc1ccc2c(c1)CCc1c(N3CCNCC3)n[nH]c1-2
InChIInChI=1S/C16H20N4O/c1-21-12-3-5-13-11(10-12)2-4-14-15(13)18-19-16(14)20-8-6-17-7-9-20/h3,5,10,17H,2,4,6-9H2,1H3,(H,18,19)
InChIKeyXMADGMNJPSNNJR-UHFFFAOYSA-N
XLogP1.59
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole?
The IUPAC name of 7-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole (CID 63048324) is 7-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole.
What is the SMILES notation for 7-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole?
The canonical SMILES for 7-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole is COc1ccc2c(c1)CCc1c(N3CCNCC3)n[nH]c1-2.
What is the InChIKey of 7-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole?
The InChIKey is XMADGMNJPSNNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-21-12-3-5-13-11(10-12)2-4-14-15(13)18-19-16(14)20-8-6-17-7-9-20/h3,5,10,17H,2,4,6-9H2,1H3,(H,18,19).
What are the key properties of 7-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole?
7-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole has a molecular weight of 284.36 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole is sourced from PubChem (CID 63048324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).