N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

C29H28FN5O — CID 10299538

IUPACN-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(OCc4ccccc4)cccn23)n1
InChIInChI=1S/C29H28FN5O/c1-29(2,3)19-32-28-31-16-15-23(33-28)26-25(21-11-13-22(30)14-12-21)34-27-24(10-7-17-35(26)27)36-18-20-8-5-4-6-9-20/h4-17H,18-19H2,1-3H3,(H,31,32,33)
InChIKeyGGPUXBBUYCDOKG-UHFFFAOYSA-N
MW481.58 g/mol
LogP6.63
Rot. Bonds7

About N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 10299538) has the molecular formula C29H28FN5O and a molecular weight of 481.58 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID10299538
Molecular FormulaC29H28FN5O
Molecular Weight481.58 g/mol
Exact Mass481.23
IUPAC NameN-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(OCc4ccccc4)cccn23)n1
InChIInChI=1S/C29H28FN5O/c1-29(2,3)19-32-28-31-16-15-23(33-28)26-25(21-11-13-22(30)14-12-21)34-27-24(10-7-17-35(26)27)36-18-20-8-5-4-6-9-20/h4-17H,18-19H2,1-3H3,(H,31,32,33)
InChIKeyGGPUXBBUYCDOKG-UHFFFAOYSA-N
XLogP6.63
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.58
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]pyrimidin-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-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 10299538) is N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(OCc4ccccc4)cccn23)n1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is GGPUXBBUYCDOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN5O/c1-29(2,3)19-32-28-31-16-15-23(33-28)26-25(21-11-13-22(30)14-12-21)34-27-24(10-7-17-35(26)27)36-18-20-8-5-4-6-9-20/h4-17H,18-19H2,1-3H3,(H,31,32,33).
What are the key properties of N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 481.58 g/mol, XLogP of 6.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-[2-(4-fluorophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 10299538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).