ethyl 4-[8-bromo-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-1-phenylpyrazole-3-carboxylate

C22H20BrN5O4 — CID 132838239

IUPACethyl 4-[8-bromo-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-1-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)cc1-c1nc2c(Br)cccn2c1NCC(=O)OC
InChIInChI=1S/C22H20BrN5O4/c1-3-32-22(30)19-15(13-28(26-19)14-8-5-4-6-9-14)18-21(24-12-17(29)31-2)27-11-7-10-16(23)20(27)25-18/h4-11,13,24H,3,12H2,1-2H3
InChIKeySPQTZOIFCUJKMR-UHFFFAOYSA-N
MW498.34 g/mol
LogP3.71
Rot. Bonds7

About ethyl 4-[8-bromo-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-1-phenylpyrazole-3-carboxylate

ethyl 4-[8-bromo-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-1-phenylpyrazole-3-carboxylate (PubChem CID 132838239) has the molecular formula C22H20BrN5O4 and a molecular weight of 498.34 g/mol. Its IUPAC name is ethyl 4-[8-bromo-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-1-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[8-bromo-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-1-phenylpyrazole-3-carboxylate
PubChem CID132838239
Molecular FormulaC22H20BrN5O4
Molecular Weight498.34 g/mol
Exact Mass497.07
IUPAC Nameethyl 4-[8-bromo-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-1-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)cc1-c1nc2c(Br)cccn2c1NCC(=O)OC
InChIInChI=1S/C22H20BrN5O4/c1-3-32-22(30)19-15(13-28(26-19)14-8-5-4-6-9-14)18-21(24-12-17(29)31-2)27-11-7-10-16(23)20(27)25-18/h4-11,13,24H,3,12H2,1-2H3
InChIKeySPQTZOIFCUJKMR-UHFFFAOYSA-N
XLogP3.71
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl 8-bromo-3-iodoimidazo[1,2-a]pyridine-2-carboxylate
CID 171530837
ethyl 4-(4-aminophenyl)-1-phenylpyrazole-3-carboxylate
CID 12886956
ethyl 3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 82529178
ethyl 1-(4-aminophenyl)-4-phenylpyrazole-3-carboxylate
CID 89330372
ethyl 2-[(2-phenyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 42738205
ethyl 3-bromo-1-phenylpyrazole-4-carboxylate
CID 121014552
ethyl 2-[3,5-dibromo-4-(2-phenylindazol-5-yl)oxyanilino]acetate
CID 68523019
ethyl 4-cyclopropyl-1-phenylpyrazole-3-carboxylate
CID 22267745
ethyl 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 171530852
ethyl 4-[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethoxy]-1-phenylpyrazole-3-carboxylate
CID 55750377
ethyl 1-phenyl-4-(trifluoromethoxy)pyrazole-3-carboxylate
CID 175260189
ethyl 4-bromo-1-(3-chlorophenyl)pyrazole-3-carboxylate
CID 162639245

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[8-bromo-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-1-phenylpyrazole-3-carboxylate?
The IUPAC name of ethyl 4-[8-bromo-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-1-phenylpyrazole-3-carboxylate (CID 132838239) is ethyl 4-[8-bromo-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-1-phenylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 4-[8-bromo-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-1-phenylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 4-[8-bromo-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-1-phenylpyrazole-3-carboxylate is CCOC(=O)c1nn(-c2ccccc2)cc1-c1nc2c(Br)cccn2c1NCC(=O)OC.
What is the InChIKey of ethyl 4-[8-bromo-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-1-phenylpyrazole-3-carboxylate?
The InChIKey is SPQTZOIFCUJKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN5O4/c1-3-32-22(30)19-15(13-28(26-19)14-8-5-4-6-9-14)18-21(24-12-17(29)31-2)27-11-7-10-16(23)20(27)25-18/h4-11,13,24H,3,12H2,1-2H3.
What are the key properties of ethyl 4-[8-bromo-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-1-phenylpyrazole-3-carboxylate?
ethyl 4-[8-bromo-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-1-phenylpyrazole-3-carboxylate has a molecular weight of 498.34 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[8-bromo-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-1-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 132838239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).