propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate

C26H26N2O3 — CID 134179845

IUPACpropan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate
SMILESCC(C)OC(=O)c1ccc(-c2ccc3ncc(-c4ccc(OC(C)C)cc4)n3c2)cc1
InChIInChI=1S/C26H26N2O3/c1-17(2)30-23-12-9-20(10-13-23)24-15-27-25-14-11-22(16-28(24)25)19-5-7-21(8-6-19)26(29)31-18(3)4/h5-18H,1-4H3
InChIKeySDRFUXPFNUKTEP-UHFFFAOYSA-N
MW414.51 g/mol
LogP6.02
Rot. Bonds6

About propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate

propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate (PubChem CID 134179845) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate
PubChem CID134179845
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Namepropan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate
SMILESCC(C)OC(=O)c1ccc(-c2ccc3ncc(-c4ccc(OC(C)C)cc4)n3c2)cc1
InChIInChI=1S/C26H26N2O3/c1-17(2)30-23-12-9-20(10-13-23)24-15-27-25-14-11-22(16-28(24)25)19-5-7-21(8-6-19)26(29)31-18(3)4/h5-18H,1-4H3
InChIKeySDRFUXPFNUKTEP-UHFFFAOYSA-N
XLogP6.02
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate 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

3-[4-(difluoromethyl)phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179303
3-(4-cyclopropyloxyphenyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179286
6-(3-methyl-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179850
3-(5-methyl-6-propan-2-yloxy-3-pyridinyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 163368576
7-methoxy-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179276
methyl 4-[4-(4-propan-2-yloxyphenoxy)phenyl]benzoate
CID 155173763
ethyl 3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 134179642
3-phenyl-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 56593408
1,6-bis(4-propan-2-yloxyphenyl)indazole;6-(1H-indol-5-yl)-1-(4-propan-2-yloxyphenyl)indazole;5-methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzoic acid
CID 159598250
propan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate
CID 142863752
1-O-methyl 4-O-[4-(4-propan-2-yloxycarbonylbenzoyl)oxyphenyl] benzene-1,4-dicarboxylate
CID 142623829
3-(3-fluoro-4-propan-2-yloxyphenyl)-6-[4-[5-[2-fluoro-4-[6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]hexan-2-yloxy]phenyl]-7-methylimidazo[1,2-a]pyridine
CID 163368603

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate?
The IUPAC name of propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate (CID 134179845) is propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate.
What is the SMILES notation for propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate?
The canonical SMILES for propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate is CC(C)OC(=O)c1ccc(-c2ccc3ncc(-c4ccc(OC(C)C)cc4)n3c2)cc1.
What is the InChIKey of propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate?
The InChIKey is SDRFUXPFNUKTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-17(2)30-23-12-9-20(10-13-23)24-15-27-25-14-11-22(16-28(24)25)19-5-7-21(8-6-19)26(29)31-18(3)4/h5-18H,1-4H3.
What are the key properties of propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate?
propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate has a molecular weight of 414.51 g/mol, XLogP of 6.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate is sourced from PubChem (CID 134179845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).