[2-(4-ethylphenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

C28H27N5O — CID 142198950

IUPAC[2-(4-ethylphenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCCc1ccc(-c2nc3cc(CO)ccn3c2-c2ccnc(NCc3cccc(C)c3)n2)cc1
InChIInChI=1S/C28H27N5O/c1-3-20-7-9-23(10-8-20)26-27(33-14-12-22(18-34)16-25(33)32-26)24-11-13-29-28(31-24)30-17-21-6-4-5-19(2)15-21/h4-16,34H,3,17-18H2,1-2H3,(H,29,30,31)
InChIKeySJSNCBQZJIIFCA-UHFFFAOYSA-N
MW449.56 g/mol
LogP5.43
Rot. Bonds7

About [2-(4-ethylphenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

[2-(4-ethylphenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 142198950) has the molecular formula C28H27N5O and a molecular weight of 449.56 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
PubChem CID142198950
Molecular FormulaC28H27N5O
Molecular Weight449.56 g/mol
Exact Mass449.22
IUPAC Name[2-(4-ethylphenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
SMILESCCc1ccc(-c2nc3cc(CO)ccn3c2-c2ccnc(NCc3cccc(C)c3)n2)cc1
InChIInChI=1S/C28H27N5O/c1-3-20-7-9-23(10-8-20)26-27(33-14-12-22(18-34)16-25(33)32-26)24-11-13-29-28(31-24)30-17-21-6-4-5-19(2)15-21/h4-16,34H,3,17-18H2,1-2H3,(H,29,30,31)
InChIKeySJSNCBQZJIIFCA-UHFFFAOYSA-N
XLogP5.43
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.56
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(4-ethylphenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol 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-ethyl-4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 142198980
[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824295
ethane;4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine
CID 142198972
[3-[2-[(2-chloro-6-fluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824541
[2-(4-fluorophenyl)-3-[2-[[3-(1H-imidazol-5-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824590
[3-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824424
ethane;N-ethyl-4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;propanal
CID 142199280
[2-(4-fluorophenyl)-3-[2-(2-methylpropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824534
[3-[2-(tert-butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824339
[2-(4-fluorophenyl)-3-[2-(3-methoxypropylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824528
7-ethyl-2-(4-methylphenyl)-3-(2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridine
CID 142198770
4-[7-(aminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2,4-difluorophenyl)methyl]pyrimidin-2-amine
CID 142199324

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The IUPAC name of [2-(4-ethylphenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 142198950) is [2-(4-ethylphenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.
What is the SMILES notation for [2-(4-ethylphenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The canonical SMILES for [2-(4-ethylphenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is CCc1ccc(-c2nc3cc(CO)ccn3c2-c2ccnc(NCc3cccc(C)c3)n2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
The InChIKey is SJSNCBQZJIIFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O/c1-3-20-7-9-23(10-8-20)26-27(33-14-12-22(18-34)16-25(33)32-26)24-11-13-29-28(31-24)30-17-21-6-4-5-19(2)15-21/h4-16,34H,3,17-18H2,1-2H3,(H,29,30,31).
What are the key properties of [2-(4-ethylphenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?
[2-(4-ethylphenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 449.56 g/mol, XLogP of 5.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 142198950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).