N-[1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine

C17H24FN3O — CID 118313354

IUPACN-[1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine
SMILESCOCCCCn1nc(C(C)NC2CC2)c2ccc(F)cc21
InChIInChI=1S/C17H24FN3O/c1-12(19-14-6-7-14)17-15-8-5-13(18)11-16(15)21(20-17)9-3-4-10-22-2/h5,8,11-12,14,19H,3-4,6-7,9-10H2,1-2H3
InChIKeyJJSKUZGUEWFIIT-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.41
Rot. Bonds8

About N-[1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine

N-[1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine (PubChem CID 118313354) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine
PubChem CID118313354
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC NameN-[1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine
SMILESCOCCCCn1nc(C(C)NC2CC2)c2ccc(F)cc21
InChIInChI=1S/C17H24FN3O/c1-12(19-14-6-7-14)17-15-8-5-13(18)11-16(15)21(20-17)9-3-4-10-22-2/h5,8,11-12,14,19H,3-4,6-7,9-10H2,1-2H3
InChIKeyJJSKUZGUEWFIIT-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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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine (CID 118313354) is N-[1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine is COCCCCn1nc(C(C)NC2CC2)c2ccc(F)cc21.
What is the InChIKey of N-[1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine?
The InChIKey is JJSKUZGUEWFIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c1-12(19-14-6-7-14)17-15-8-5-13(18)11-16(15)21(20-17)9-3-4-10-22-2/h5,8,11-12,14,19H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of N-[1-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine?
N-[1-[6-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-[6-fluoro-1-(4-methoxybutyl)indazol-3-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 118313354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).