1-[[(6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]indazole

C20H19Cl2N3 — CID 56662696

IUPAC1-[[(6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]indazole
SMILESClc1ccc([C@]23CCNCC2(Cn2ncc4ccccc42)C3)cc1Cl
InChIInChI=1S/C20H19Cl2N3/c21-16-6-5-15(9-17(16)22)20-7-8-23-12-19(20,11-20)13-25-18-4-2-1-3-14(18)10-24-25/h1-6,9-10,23H,7-8,11-13H2/t19?,20-/m1/s1
InChIKeyGRCVTMNCDBAKJY-GFOWMXPYSA-N
MW372.30 g/mol
LogP4.66
Rot. Bonds3

About 1-[[(6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]indazole

1-[[(6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]indazole (PubChem CID 56662696) has the molecular formula C20H19Cl2N3 and a molecular weight of 372.30 g/mol. Its IUPAC name is 1-[[(6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]indazole.

Molecular Properties

Compound Name1-[[(6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]indazole
PubChem CID56662696
Molecular FormulaC20H19Cl2N3
Molecular Weight372.30 g/mol
Exact Mass371.10
IUPAC Name1-[[(6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]indazole
SMILESClc1ccc([C@]23CCNCC2(Cn2ncc4ccccc42)C3)cc1Cl
InChIInChI=1S/C20H19Cl2N3/c21-16-6-5-15(9-17(16)22)20-7-8-23-12-19(20,11-20)13-25-18-4-2-1-3-14(18)10-24-25/h1-6,9-10,23H,7-8,11-13H2/t19?,20-/m1/s1
InChIKeyGRCVTMNCDBAKJY-GFOWMXPYSA-N
XLogP4.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]indazole?
The IUPAC name of 1-[[(6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]indazole (CID 56662696) is 1-[[(6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]indazole.
What is the SMILES notation for 1-[[(6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]indazole?
The canonical SMILES for 1-[[(6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]indazole is Clc1ccc([C@]23CCNCC2(Cn2ncc4ccccc42)C3)cc1Cl.
What is the InChIKey of 1-[[(6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]indazole?
The InChIKey is GRCVTMNCDBAKJY-GFOWMXPYSA-N. The full InChI is InChI=1S/C20H19Cl2N3/c21-16-6-5-15(9-17(16)22)20-7-8-23-12-19(20,11-20)13-25-18-4-2-1-3-14(18)10-24-25/h1-6,9-10,23H,7-8,11-13H2/t19?,20-/m1/s1.
What are the key properties of 1-[[(6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]indazole?
1-[[(6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]indazole has a molecular weight of 372.30 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]indazole is sourced from PubChem (CID 56662696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).