N-[1-[3-fluoro-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]cycloheptanamine

C24H30FN3O — CID 22015601

IUPACN-[1-[3-fluoro-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]cycloheptanamine
SMILESCCC(NC1CCCCCC1)Oc1ccc(-c2cn3ccc(C)cc3n2)c(F)c1
InChIInChI=1S/C24H30FN3O/c1-3-24(26-18-8-6-4-5-7-9-18)29-19-10-11-20(21(25)15-19)22-16-28-13-12-17(2)14-23(28)27-22/h10-16,18,24,26H,3-9H2,1-2H3
InChIKeyNCVOYHKDUHMOGN-UHFFFAOYSA-N
MW395.52 g/mol
LogP5.88
Rot. Bonds6

About N-[1-[3-fluoro-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]cycloheptanamine

N-[1-[3-fluoro-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]cycloheptanamine (PubChem CID 22015601) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is N-[1-[3-fluoro-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]cycloheptanamine.

Molecular Properties

Compound NameN-[1-[3-fluoro-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]cycloheptanamine
PubChem CID22015601
Molecular FormulaC24H30FN3O
Molecular Weight395.52 g/mol
Exact Mass395.24
IUPAC NameN-[1-[3-fluoro-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]cycloheptanamine
SMILESCCC(NC1CCCCCC1)Oc1ccc(-c2cn3ccc(C)cc3n2)c(F)c1
InChIInChI=1S/C24H30FN3O/c1-3-24(26-18-8-6-4-5-7-9-18)29-19-10-11-20(21(25)15-19)22-16-28-13-12-17(2)14-23(28)27-22/h10-16,18,24,26H,3-9H2,1-2H3
InChIKeyNCVOYHKDUHMOGN-UHFFFAOYSA-N
XLogP5.88
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.52
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[1-[3-fluoro-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]cycloheptanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-fluoro-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]cycloheptanamine?
The IUPAC name of N-[1-[3-fluoro-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]cycloheptanamine (CID 22015601) is N-[1-[3-fluoro-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]cycloheptanamine.
What is the SMILES notation for N-[1-[3-fluoro-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]cycloheptanamine?
The canonical SMILES for N-[1-[3-fluoro-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]cycloheptanamine is CCC(NC1CCCCCC1)Oc1ccc(-c2cn3ccc(C)cc3n2)c(F)c1.
What is the InChIKey of N-[1-[3-fluoro-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]cycloheptanamine?
The InChIKey is NCVOYHKDUHMOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O/c1-3-24(26-18-8-6-4-5-7-9-18)29-19-10-11-20(21(25)15-19)22-16-28-13-12-17(2)14-23(28)27-22/h10-16,18,24,26H,3-9H2,1-2H3.
What are the key properties of N-[1-[3-fluoro-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]cycloheptanamine?
N-[1-[3-fluoro-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]cycloheptanamine has a molecular weight of 395.52 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-fluoro-4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]cycloheptanamine is sourced from PubChem (CID 22015601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).