N-[[4-fluoro-1-(3-methoxypropyl)-3-methylindazol-6-yl]methyl]cyclopropanamine

C16H22FN3O — CID 59494382

IUPACN-[[4-fluoro-1-(3-methoxypropyl)-3-methylindazol-6-yl]methyl]cyclopropanamine
SMILESCOCCCn1nc(C)c2c(F)cc(CNC3CC3)cc21
InChIInChI=1S/C16H22FN3O/c1-11-16-14(17)8-12(10-18-13-4-5-13)9-15(16)20(19-11)6-3-7-21-2/h8-9,13,18H,3-7,10H2,1-2H3
InChIKeyJZSGLNUXZISHEK-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.77
Rot. Bonds7

About N-[[4-fluoro-1-(3-methoxypropyl)-3-methylindazol-6-yl]methyl]cyclopropanamine

N-[[4-fluoro-1-(3-methoxypropyl)-3-methylindazol-6-yl]methyl]cyclopropanamine (PubChem CID 59494382) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[[4-fluoro-1-(3-methoxypropyl)-3-methylindazol-6-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-fluoro-1-(3-methoxypropyl)-3-methylindazol-6-yl]methyl]cyclopropanamine
PubChem CID59494382
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-[[4-fluoro-1-(3-methoxypropyl)-3-methylindazol-6-yl]methyl]cyclopropanamine
SMILESCOCCCn1nc(C)c2c(F)cc(CNC3CC3)cc21
InChIInChI=1S/C16H22FN3O/c1-11-16-14(17)8-12(10-18-13-4-5-13)9-15(16)20(19-11)6-3-7-21-2/h8-9,13,18H,3-7,10H2,1-2H3
InChIKeyJZSGLNUXZISHEK-UHFFFAOYSA-N
XLogP2.77
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[4-fluoro-1-(3-methoxypropyl)-3-methylindazol-6-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-chloro-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methoxypropyl)indazol-6-yl]methyl]cyclopropanamine
CID 59494683
N-[[4-chloro-1-(3-methoxypropyl)-3-pyrimidin-5-ylindazol-6-yl]methyl]cyclopropanamine
CID 59494907
N-[[5-fluoro-1-(3-methoxypropyl)indazol-3-yl]methyl]cyclopropanamine
CID 59494816
N-[(3,5-difluoro-4-methoxyphenyl)methyl]cyclopropanamine
CID 79891880
N-[[5,6-difluoro-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine
CID 59494429
N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66146516
N-[[4-(3,5-dimethylpyrazol-1-yl)-3,5-difluorophenyl]methyl]cyclopropanamine
CID 63076994
4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline
CID 63051609
N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65172064
N-[[4-(2-methoxyethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 43276814
N-[[5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 55239058
N-[(4-cyclopentyloxy-3,5-difluorophenyl)methyl]cyclopropanamine
CID 79891658

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-(3-methoxypropyl)-3-methylindazol-6-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-fluoro-1-(3-methoxypropyl)-3-methylindazol-6-yl]methyl]cyclopropanamine (CID 59494382) is N-[[4-fluoro-1-(3-methoxypropyl)-3-methylindazol-6-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-fluoro-1-(3-methoxypropyl)-3-methylindazol-6-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-fluoro-1-(3-methoxypropyl)-3-methylindazol-6-yl]methyl]cyclopropanamine is COCCCn1nc(C)c2c(F)cc(CNC3CC3)cc21.
What is the InChIKey of N-[[4-fluoro-1-(3-methoxypropyl)-3-methylindazol-6-yl]methyl]cyclopropanamine?
The InChIKey is JZSGLNUXZISHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-11-16-14(17)8-12(10-18-13-4-5-13)9-15(16)20(19-11)6-3-7-21-2/h8-9,13,18H,3-7,10H2,1-2H3.
What are the key properties of N-[[4-fluoro-1-(3-methoxypropyl)-3-methylindazol-6-yl]methyl]cyclopropanamine?
N-[[4-fluoro-1-(3-methoxypropyl)-3-methylindazol-6-yl]methyl]cyclopropanamine has a molecular weight of 291.37 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-(3-methoxypropyl)-3-methylindazol-6-yl]methyl]cyclopropanamine is sourced from PubChem (CID 59494382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).