ethyl 2-[4-[4-[2-[(3-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetate

C31H33N3O3 — CID 118137179

IUPACethyl 2-[4-[4-[2-[(3-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(c2ccc(-c3ccc4nc(C(=O)Nc5cccc(C)c5)cn4c3)cc2)CC1
InChIInChI=1S/C31H33N3O3/c1-3-37-30(35)18-22-7-9-23(10-8-22)24-11-13-25(14-12-24)26-15-16-29-33-28(20-34(29)19-26)31(36)32-27-6-4-5-21(2)17-27/h4-6,11-17,19-20,22-23H,3,7-10,18H2,1-2H3,(H,32,36)
InChIKeyCTLKYCHKXBAWEQ-UHFFFAOYSA-N
MW495.62 g/mol
LogP6.79
Rot. Bonds7

About ethyl 2-[4-[4-[2-[(3-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetate

ethyl 2-[4-[4-[2-[(3-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetate (PubChem CID 118137179) has the molecular formula C31H33N3O3 and a molecular weight of 495.62 g/mol. Its IUPAC name is ethyl 2-[4-[4-[2-[(3-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[4-[2-[(3-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetate
PubChem CID118137179
Molecular FormulaC31H33N3O3
Molecular Weight495.62 g/mol
Exact Mass495.25
IUPAC Nameethyl 2-[4-[4-[2-[(3-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(c2ccc(-c3ccc4nc(C(=O)Nc5cccc(C)c5)cn4c3)cc2)CC1
InChIInChI=1S/C31H33N3O3/c1-3-37-30(35)18-22-7-9-23(10-8-22)24-11-13-25(14-12-24)26-15-16-29-33-28(20-34(29)19-26)31(36)32-27-6-4-5-21(2)17-27/h4-6,11-17,19-20,22-23H,3,7-10,18H2,1-2H3,(H,32,36)
InChIKeyCTLKYCHKXBAWEQ-UHFFFAOYSA-N
XLogP6.79
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.62
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-[4-[2-[(3-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetate with MolForge

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Related Compounds

2-[4-[4-[2-[(4-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
CID 118137180
2-[4-[4-[2-[(4-methoxyphenyl)methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
CID 71695669
2-[4-[4-[6-[(3-chlorophenyl)carbamoyl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]cyclohexyl]acetic acid
CID 71696056
6-(4-chlorophenyl)-N-(cyclopropylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690096
2-[4-[4-[2-[[4-(4-fluorophenoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
CID 71695804
ethyl 2-[4-[4-[6-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylcarbamoyl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]cyclohexyl]acetate
CID 118113941
ethyl 2-[4-[4-[(2-hydrazinyl-2-oxoacetyl)amino]phenyl]cyclohexyl]acetate
CID 91058570
ethyl 2-[4-[4-(2-bromoacetyl)phenyl]cyclohexyl]acetate
CID 86634685
N-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 68778377
2-[(4-ethylcyclohexyl)methylamino]-N-(3-methylphenyl)acetamide
CID 60972732
N-(4-chlorophenyl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690070
N-(3-chlorophenyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 40723677

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[4-[2-[(3-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetate?
The IUPAC name of ethyl 2-[4-[4-[2-[(3-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetate (CID 118137179) is ethyl 2-[4-[4-[2-[(3-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[4-[4-[2-[(3-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[4-[4-[2-[(3-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetate is CCOC(=O)CC1CCC(c2ccc(-c3ccc4nc(C(=O)Nc5cccc(C)c5)cn4c3)cc2)CC1.
What is the InChIKey of ethyl 2-[4-[4-[2-[(3-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetate?
The InChIKey is CTLKYCHKXBAWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O3/c1-3-37-30(35)18-22-7-9-23(10-8-22)24-11-13-25(14-12-24)26-15-16-29-33-28(20-34(29)19-26)31(36)32-27-6-4-5-21(2)17-27/h4-6,11-17,19-20,22-23H,3,7-10,18H2,1-2H3,(H,32,36).
What are the key properties of ethyl 2-[4-[4-[2-[(3-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetate?
ethyl 2-[4-[4-[2-[(3-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetate has a molecular weight of 495.62 g/mol, XLogP of 6.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[4-[2-[(3-methylphenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetate is sourced from PubChem (CID 118137179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).