methyl 2-[4-[3-[3-[2-(4-fluorophenyl)ethyl]phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpropanoate

C32H29FN2O2 — CID 143707078

IUPACmethyl 2-[4-[3-[3-[2-(4-fluorophenyl)ethyl]phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1ccc(-c2ccn3c(-c4cccc(CCc5ccc(F)cc5)c4)cnc3c2)cc1
InChIInChI=1S/C32H29FN2O2/c1-32(2,31(36)37-3)27-13-11-24(12-14-27)25-17-18-35-29(21-34-30(35)20-25)26-6-4-5-23(19-26)8-7-22-9-15-28(33)16-10-22/h4-6,9-21H,7-8H2,1-3H3
InChIKeyKYTHSXDNQAAZKZ-UHFFFAOYSA-N
MW492.59 g/mol
LogP7.04
Rot. Bonds7

About methyl 2-[4-[3-[3-[2-(4-fluorophenyl)ethyl]phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpropanoate

methyl 2-[4-[3-[3-[2-(4-fluorophenyl)ethyl]phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpropanoate (PubChem CID 143707078) has the molecular formula C32H29FN2O2 and a molecular weight of 492.59 g/mol. Its IUPAC name is methyl 2-[4-[3-[3-[2-(4-fluorophenyl)ethyl]phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[4-[3-[3-[2-(4-fluorophenyl)ethyl]phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpropanoate
PubChem CID143707078
Molecular FormulaC32H29FN2O2
Molecular Weight492.59 g/mol
Exact Mass492.22
IUPAC Namemethyl 2-[4-[3-[3-[2-(4-fluorophenyl)ethyl]phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1ccc(-c2ccn3c(-c4cccc(CCc5ccc(F)cc5)c4)cnc3c2)cc1
InChIInChI=1S/C32H29FN2O2/c1-32(2,31(36)37-3)27-13-11-24(12-14-27)25-17-18-35-29(21-34-30(35)20-25)26-6-4-5-23(19-26)8-7-22-9-15-28(33)16-10-22/h4-6,9-21H,7-8H2,1-3H3
InChIKeyKYTHSXDNQAAZKZ-UHFFFAOYSA-N
XLogP7.04
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.59
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid
CID 91112338
N-ethyl-3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline;3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]aniline
CID 161390343
3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]sulfonyl-1,1-dimethylurea
CID 68595157
1-[2-fluoro-5-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321126
N-[3-[7-[3-(cyanomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide
CID 59321077
1-[3-[7-[5-(1,1-difluoroethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
CID 147204904
5,5,5-trifluoro-1-[3-[7-(4-fluoro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
CID 157063395
[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-pyridin-4-ylanilino] formate
CID 87543655
tert-butyl 2-[2-fluoro-4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetate
CID 68543160
7-(4-tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine
CID 53393117
3-[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-1,2,4-thiadiazol-5-amine
CID 118431180
N-[2-fluoro-5-(trifluoromethyl)phenyl]-2-[4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]acetamide
CID 68622685

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[3-[3-[2-(4-fluorophenyl)ethyl]phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpropanoate?
The IUPAC name of methyl 2-[4-[3-[3-[2-(4-fluorophenyl)ethyl]phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpropanoate (CID 143707078) is methyl 2-[4-[3-[3-[2-(4-fluorophenyl)ethyl]phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[4-[3-[3-[2-(4-fluorophenyl)ethyl]phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[4-[3-[3-[2-(4-fluorophenyl)ethyl]phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpropanoate is COC(=O)C(C)(C)c1ccc(-c2ccn3c(-c4cccc(CCc5ccc(F)cc5)c4)cnc3c2)cc1.
What is the InChIKey of methyl 2-[4-[3-[3-[2-(4-fluorophenyl)ethyl]phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpropanoate?
The InChIKey is KYTHSXDNQAAZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN2O2/c1-32(2,31(36)37-3)27-13-11-24(12-14-27)25-17-18-35-29(21-34-30(35)20-25)26-6-4-5-23(19-26)8-7-22-9-15-28(33)16-10-22/h4-6,9-21H,7-8H2,1-3H3.
What are the key properties of methyl 2-[4-[3-[3-[2-(4-fluorophenyl)ethyl]phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpropanoate?
methyl 2-[4-[3-[3-[2-(4-fluorophenyl)ethyl]phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpropanoate has a molecular weight of 492.59 g/mol, XLogP of 7.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[3-[3-[2-(4-fluorophenyl)ethyl]phenyl]imidazo[1,2-a]pyridin-7-yl]phenyl]-2-methylpropanoate is sourced from PubChem (CID 143707078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).