N-(3-cycloheptyloxy-5-thiophen-2-ylphenyl)-5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine

C29H28FN5OS — CID 144723276

IUPACN-(3-cycloheptyloxy-5-thiophen-2-ylphenyl)-5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine
SMILESCN(c1cc(OC2CCCCCC2)cc(-c2cccs2)c1)c1ncc(F)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C29H28FN5OS/c1-34(29-32-18-24(30)28(33-29)25-19-31-27-12-6-7-13-35(25)27)21-15-20(26-11-8-14-37-26)16-23(17-21)36-22-9-4-2-3-5-10-22/h6-8,11-19,22H,2-5,9-10H2,1H3
InChIKeyLCFORIPMISMCKZ-UHFFFAOYSA-N
MW513.64 g/mol
LogP7.53
Rot. Bonds6

About N-(3-cycloheptyloxy-5-thiophen-2-ylphenyl)-5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine

N-(3-cycloheptyloxy-5-thiophen-2-ylphenyl)-5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine (PubChem CID 144723276) has the molecular formula C29H28FN5OS and a molecular weight of 513.64 g/mol. Its IUPAC name is N-(3-cycloheptyloxy-5-thiophen-2-ylphenyl)-5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-cycloheptyloxy-5-thiophen-2-ylphenyl)-5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine
PubChem CID144723276
Molecular FormulaC29H28FN5OS
Molecular Weight513.64 g/mol
Exact Mass513.20
IUPAC NameN-(3-cycloheptyloxy-5-thiophen-2-ylphenyl)-5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine
SMILESCN(c1cc(OC2CCCCCC2)cc(-c2cccs2)c1)c1ncc(F)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C29H28FN5OS/c1-34(29-32-18-24(30)28(33-29)25-19-31-27-12-6-7-13-35(25)27)21-15-20(26-11-8-14-37-26)16-23(17-21)36-22-9-4-2-3-5-10-22/h6-8,11-19,22H,2-5,9-10H2,1H3
InChIKeyLCFORIPMISMCKZ-UHFFFAOYSA-N
XLogP7.53
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(3-cycloheptyloxy-5-thiophen-2-ylphenyl)-5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine 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-(3-cycloheptyloxy-5-thiophen-2-ylphenyl)-5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine?
The IUPAC name of N-(3-cycloheptyloxy-5-thiophen-2-ylphenyl)-5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine (CID 144723276) is N-(3-cycloheptyloxy-5-thiophen-2-ylphenyl)-5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-(3-cycloheptyloxy-5-thiophen-2-ylphenyl)-5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine?
The canonical SMILES for N-(3-cycloheptyloxy-5-thiophen-2-ylphenyl)-5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine is CN(c1cc(OC2CCCCCC2)cc(-c2cccs2)c1)c1ncc(F)c(-c2cnc3ccccn23)n1.
What is the InChIKey of N-(3-cycloheptyloxy-5-thiophen-2-ylphenyl)-5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine?
The InChIKey is LCFORIPMISMCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN5OS/c1-34(29-32-18-24(30)28(33-29)25-19-31-27-12-6-7-13-35(25)27)21-15-20(26-11-8-14-37-26)16-23(17-21)36-22-9-4-2-3-5-10-22/h6-8,11-19,22H,2-5,9-10H2,1H3.
What are the key properties of N-(3-cycloheptyloxy-5-thiophen-2-ylphenyl)-5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine?
N-(3-cycloheptyloxy-5-thiophen-2-ylphenyl)-5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine has a molecular weight of 513.64 g/mol, XLogP of 7.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cycloheptyloxy-5-thiophen-2-ylphenyl)-5-fluoro-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine is sourced from PubChem (CID 144723276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).