N-[1-[7-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine

C17H24FN3O — CID 118313383

IUPACN-[1-[7-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine
SMILESCOCCCCn1nc(C(C)NC2CC2)c2cccc(F)c21
InChIInChI=1S/C17H24FN3O/c1-12(19-13-8-9-13)16-14-6-5-7-15(18)17(14)21(20-16)10-3-4-11-22-2/h5-7,12-13,19H,3-4,8-11H2,1-2H3
InChIKeyLZZRHPATMARSBE-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.41
Rot. Bonds8

About N-[1-[7-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine

N-[1-[7-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine (PubChem CID 118313383) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[1-[7-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-[7-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine
PubChem CID118313383
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC NameN-[1-[7-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine
SMILESCOCCCCn1nc(C(C)NC2CC2)c2cccc(F)c21
InChIInChI=1S/C17H24FN3O/c1-12(19-13-8-9-13)16-14-6-5-7-15(18)17(14)21(20-16)10-3-4-11-22-2/h5-7,12-13,19H,3-4,8-11H2,1-2H3
InChIKeyLZZRHPATMARSBE-UHFFFAOYSA-N
XLogP3.41
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 9859429
CID 9859429
CID 44452853
CID 44452853
CID 56837420
CID 56837420
CID 7537468
CID 7537468
CID 65836719
CID 65836719
CID 132317391
CID 132317391
CID 172439329
CID 172439329
CID 172444062
CID 172444062
CID 9859364
CID 9859364
CID 44214614
CID 44214614
CID 7537473
CID 7537473
CID 75029477
CID 75029477

Frequently Asked Questions

What is the IUPAC name of N-[1-[7-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[1-[7-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine (CID 118313383) is N-[1-[7-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[1-[7-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[1-[7-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine is COCCCCn1nc(C(C)NC2CC2)c2cccc(F)c21.
What is the InChIKey of N-[1-[7-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine?
The InChIKey is LZZRHPATMARSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c1-12(19-13-8-9-13)16-14-6-5-7-15(18)17(14)21(20-16)10-3-4-11-22-2/h5-7,12-13,19H,3-4,8-11H2,1-2H3.
What are the key properties of N-[1-[7-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine?
N-[1-[7-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine has a molecular weight of 305.40 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[7-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 118313383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).