tert-butyl 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperazine-1-carboxylate

C38H38F3N7O6 — CID 131735246

IUPACtert-butyl 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncc(-c3cn4c(Cc5ccccc5OC(F)F)c(COc5cccc(N6CCOC6=O)c5)nc4cc3F)cn2)CC1
InChIInChI=1S/C38H38F3N7O6/c1-38(2,3)54-36(49)46-13-11-45(12-14-46)35-42-20-25(21-43-35)28-22-48-31(17-24-7-4-5-10-32(24)53-34(40)41)30(44-33(48)19-29(28)39)23-52-27-9-6-8-26(18-27)47-15-16-51-37(47)50/h4-10,18-22,34H,11-17,23H2,1-3H3
InChIKeyFTDMTNOYBJOWJU-UHFFFAOYSA-N
MW745.76 g/mol
LogP6.72
Rot. Bonds10

About tert-butyl 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperazine-1-carboxylate

tert-butyl 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperazine-1-carboxylate (PubChem CID 131735246) has the molecular formula C38H38F3N7O6 and a molecular weight of 745.76 g/mol. Its IUPAC name is tert-butyl 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperazine-1-carboxylate
PubChem CID131735246
Molecular FormulaC38H38F3N7O6
Molecular Weight745.76 g/mol
Exact Mass745.28
IUPAC Nametert-butyl 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ncc(-c3cn4c(Cc5ccccc5OC(F)F)c(COc5cccc(N6CCOC6=O)c5)nc4cc3F)cn2)CC1
InChIInChI=1S/C38H38F3N7O6/c1-38(2,3)54-36(49)46-13-11-45(12-14-46)35-42-20-25(21-43-35)28-22-48-31(17-24-7-4-5-10-32(24)53-34(40)41)30(44-33(48)19-29(28)39)23-52-27-9-6-8-26(18-27)47-15-16-51-37(47)50/h4-10,18-22,34H,11-17,23H2,1-3H3
InChIKeyFTDMTNOYBJOWJU-UHFFFAOYSA-N
XLogP6.72
TPSA123.86 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500745.76
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze tert-butyl 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperazine-1-carboxylate 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

6-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-7-[2-(4,4-difluorocyclohexyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 25023791
7-(2-cyclohexylethyl)-6-[4-(4-acetylpiperazin-1-yl)-2-fluorophenoxymethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 25023785
7-(2-cyclohexylethyl)-6-[4-(4-acetylpiperazin-1-yl)-3-fluorophenoxymethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 25023786
9-[(4R)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-7H-purin-8-one
CID 56592817
Tert-butyl 4-[2-[4-methoxy-2-(3-morpholin-4-ylpropoxy)phenyl]imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate
CID 168276995
Tert-butyl 4-[2-[4-methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]imidazo[1,2-a]pyridin-7-yl]piperazine-1-carboxylate
CID 168286056
(4R)-4-benzyl-3-[3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,3-oxazolidin-2-one
CID 46913423
(4S)-4-benzyl-3-[3-(5,6-dimethoxy-3-pyridinyl)imidazo[1,2-a]pyridin-6-yl]-1,3-oxazolidin-2-one
CID 46913424
1-[3-[7-(4-Amino-5-fluoropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]-5-methoxyphenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68168837
1-[3-Cyclopentyloxy-5-(7-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68168855
1-[3-[7-(4-Amino-5-fluoropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]-5-(2-methoxyethoxy)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68168856
tert-butyl (3S)-3-({8-[6-(difluoromethoxy)pyridin-3-yl]-9-ethyl-9H-purin-6-yl}oxy)pyrrolidine-1-carboxylate
CID 90166410

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperazine-1-carboxylate (CID 131735246) is tert-butyl 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cn4c(Cc5ccccc5OC(F)F)c(COc5cccc(N6CCOC6=O)c5)nc4cc3F)cn2)CC1.
What is the InChIKey of tert-butyl 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperazine-1-carboxylate?
The InChIKey is FTDMTNOYBJOWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38F3N7O6/c1-38(2,3)54-36(49)46-13-11-45(12-14-46)35-42-20-25(21-43-35)28-22-48-31(17-24-7-4-5-10-32(24)53-34(40)41)30(44-33(48)19-29(28)39)23-52-27-9-6-8-26(18-27)47-15-16-51-37(47)50/h4-10,18-22,34H,11-17,23H2,1-3H3.
What are the key properties of tert-butyl 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperazine-1-carboxylate?
tert-butyl 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperazine-1-carboxylate has a molecular weight of 745.76 g/mol, XLogP of 6.72, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-7-fluoro-2-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenoxy]methyl]imidazo[1,2-a]pyridin-6-yl]pyrimidin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 131735246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).