3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-1,4-dimethylpyrazole-5-carboxylic acid

C34H31F6N5O5 — CID 56968298

IUPAC3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-1,4-dimethylpyrazole-5-carboxylic acid
SMILESCOc1ccc(-c2nn(C)c(C(=O)O)c2C)cc1-c1ccc(N2CCC2)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
InChIInChI=1S/C34H31F6N5O5/c1-17-28(42-43(3)29(17)31(46)47)19-6-8-26(49-4)24(14-19)23-7-9-27(44-10-5-11-44)41-25(23)16-45-18(2)30(50-32(45)48)20-12-21(33(35,36)37)15-22(13-20)34(38,39)40/h6-9,12-15,18,30H,5,10-11,16H2,1-4H3,(H,46,47)/t18-,30-/m0/s1
InChIKeyIYFBNDGUODJUCD-PBYQXAPXSA-N
MW703.64 g/mol
LogP7.49
Rot. Bonds8

About 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-1,4-dimethylpyrazole-5-carboxylic acid

3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-1,4-dimethylpyrazole-5-carboxylic acid (PubChem CID 56968298) has the molecular formula C34H31F6N5O5 and a molecular weight of 703.64 g/mol. Its IUPAC name is 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-1,4-dimethylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-1,4-dimethylpyrazole-5-carboxylic acid
PubChem CID56968298
Molecular FormulaC34H31F6N5O5
Molecular Weight703.64 g/mol
Exact Mass703.22
IUPAC Name3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-1,4-dimethylpyrazole-5-carboxylic acid
SMILESCOc1ccc(-c2nn(C)c(C(=O)O)c2C)cc1-c1ccc(N2CCC2)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
InChIInChI=1S/C34H31F6N5O5/c1-17-28(42-43(3)29(17)31(46)47)19-6-8-26(49-4)24(14-19)23-7-9-27(44-10-5-11-44)41-25(23)16-45-18(2)30(50-32(45)48)20-12-21(33(35,36)37)15-22(13-20)34(38,39)40/h6-9,12-15,18,30H,5,10-11,16H2,1-4H3,(H,46,47)/t18-,30-/m0/s1
InChIKeyIYFBNDGUODJUCD-PBYQXAPXSA-N
XLogP7.49
TPSA110.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.64
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-1,4-dimethylpyrazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-1,4-dimethylpyrazole-5-carboxylic acid?
The IUPAC name of 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-1,4-dimethylpyrazole-5-carboxylic acid (CID 56968298) is 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-1,4-dimethylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-1,4-dimethylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-1,4-dimethylpyrazole-5-carboxylic acid is COc1ccc(-c2nn(C)c(C(=O)O)c2C)cc1-c1ccc(N2CCC2)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C.
What is the InChIKey of 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-1,4-dimethylpyrazole-5-carboxylic acid?
The InChIKey is IYFBNDGUODJUCD-PBYQXAPXSA-N. The full InChI is InChI=1S/C34H31F6N5O5/c1-17-28(42-43(3)29(17)31(46)47)19-6-8-26(49-4)24(14-19)23-7-9-27(44-10-5-11-44)41-25(23)16-45-18(2)30(50-32(45)48)20-12-21(33(35,36)37)15-22(13-20)34(38,39)40/h6-9,12-15,18,30H,5,10-11,16H2,1-4H3,(H,46,47)/t18-,30-/m0/s1.
What are the key properties of 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-1,4-dimethylpyrazole-5-carboxylic acid?
3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-1,4-dimethylpyrazole-5-carboxylic acid has a molecular weight of 703.64 g/mol, XLogP of 7.49, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-1,4-dimethylpyrazole-5-carboxylic acid is sourced from PubChem (CID 56968298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).