methyl 4-[imidazo[1,2-a]pyridin-3-ylmethyl(phenyl)carbamoyl]benzoate

C23H19N3O3 — CID 90570118

IUPACmethyl 4-[imidazo[1,2-a]pyridin-3-ylmethyl(phenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N(Cc2cnc3ccccn23)c2ccccc2)cc1
InChIInChI=1S/C23H19N3O3/c1-29-23(28)18-12-10-17(11-13-18)22(27)26(19-7-3-2-4-8-19)16-20-15-24-21-9-5-6-14-25(20)21/h2-15H,16H2,1H3
InChIKeyGVQDUWQFAULFFT-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.97
Rot. Bonds5

About methyl 4-[imidazo[1,2-a]pyridin-3-ylmethyl(phenyl)carbamoyl]benzoate

methyl 4-[imidazo[1,2-a]pyridin-3-ylmethyl(phenyl)carbamoyl]benzoate (PubChem CID 90570118) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is methyl 4-[imidazo[1,2-a]pyridin-3-ylmethyl(phenyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[imidazo[1,2-a]pyridin-3-ylmethyl(phenyl)carbamoyl]benzoate
PubChem CID90570118
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Namemethyl 4-[imidazo[1,2-a]pyridin-3-ylmethyl(phenyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N(Cc2cnc3ccccn23)c2ccccc2)cc1
InChIInChI=1S/C23H19N3O3/c1-29-23(28)18-12-10-17(11-13-18)22(27)26(19-7-3-2-4-8-19)16-20-15-24-21-9-5-6-14-25(20)21/h2-15H,16H2,1H3
InChIKeyGVQDUWQFAULFFT-UHFFFAOYSA-N
XLogP3.97
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3,5-dimethyl-N-phenylbenzamide
CID 90570160
3,4-difluoro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbenzamide
CID 90570185
1-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(2-methoxyethyl)-1-phenylurea
CID 90570353
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-iodo-N-phenylbenzamide
CID 90570183
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylnaphthalene-1-carboxamide
CID 90570201
methyl 4-[benzyl(phenyl)carbamoyl]benzoate
CID 24819418
(2R)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenoxy-N-phenylpropanamide
CID 97416750
5-chloro-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylthiophene-2-carboxamide
CID 90570305
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3-(2-methoxyphenyl)-1-methyl-N-phenylpyrazole-5-carboxamide
CID 90570312
4-bromo-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbutanamide
CID 90570258
2-benzylsulfanyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylacetamide
CID 71802014
N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide
CID 90570672

Frequently Asked Questions

What is the IUPAC name of methyl 4-[imidazo[1,2-a]pyridin-3-ylmethyl(phenyl)carbamoyl]benzoate?
The IUPAC name of methyl 4-[imidazo[1,2-a]pyridin-3-ylmethyl(phenyl)carbamoyl]benzoate (CID 90570118) is methyl 4-[imidazo[1,2-a]pyridin-3-ylmethyl(phenyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[imidazo[1,2-a]pyridin-3-ylmethyl(phenyl)carbamoyl]benzoate?
The canonical SMILES for methyl 4-[imidazo[1,2-a]pyridin-3-ylmethyl(phenyl)carbamoyl]benzoate is COC(=O)c1ccc(C(=O)N(Cc2cnc3ccccn23)c2ccccc2)cc1.
What is the InChIKey of methyl 4-[imidazo[1,2-a]pyridin-3-ylmethyl(phenyl)carbamoyl]benzoate?
The InChIKey is GVQDUWQFAULFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-29-23(28)18-12-10-17(11-13-18)22(27)26(19-7-3-2-4-8-19)16-20-15-24-21-9-5-6-14-25(20)21/h2-15H,16H2,1H3.
What are the key properties of methyl 4-[imidazo[1,2-a]pyridin-3-ylmethyl(phenyl)carbamoyl]benzoate?
methyl 4-[imidazo[1,2-a]pyridin-3-ylmethyl(phenyl)carbamoyl]benzoate has a molecular weight of 385.42 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[imidazo[1,2-a]pyridin-3-ylmethyl(phenyl)carbamoyl]benzoate is sourced from PubChem (CID 90570118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).