(4S,5R)-3-[[5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C32H34F3N7O4 — CID 118028840

IUPAC(4S,5R)-3-[[5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCOc1ncc(-c2c(C)n[nH]c2C)cc1-c1cnc(N2CCOCC2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C
InChIInChI=1S/C32H34F3N7O4/c1-17-10-21(12-23(11-17)32(33,34)35)28-20(4)42(31(43)46-28)16-26-25(15-37-30(38-26)41-6-8-45-9-7-41)24-13-22(14-36-29(24)44-5)27-18(2)39-40-19(27)3/h10-15,20,28H,6-9,16H2,1-5H3,(H,39,40)/t20-,28-/m0/s1
InChIKeyJKCJCGGWGYVYDD-MMTVBGGISA-N
MW637.66 g/mol
LogP5.80
Rot. Bonds7

About (4S,5R)-3-[[5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

(4S,5R)-3-[[5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 118028840) has the molecular formula C32H34F3N7O4 and a molecular weight of 637.66 g/mol. Its IUPAC name is (4S,5R)-3-[[5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-[[5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID118028840
Molecular FormulaC32H34F3N7O4
Molecular Weight637.66 g/mol
Exact Mass637.26
IUPAC Name(4S,5R)-3-[[5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESCOc1ncc(-c2c(C)n[nH]c2C)cc1-c1cnc(N2CCOCC2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C
InChIInChI=1S/C32H34F3N7O4/c1-17-10-21(12-23(11-17)32(33,34)35)28-20(4)42(31(43)46-28)16-26-25(15-37-30(38-26)41-6-8-45-9-7-41)24-13-22(14-36-29(24)44-5)27-18(2)39-40-19(27)3/h10-15,20,28H,6-9,16H2,1-5H3,(H,39,40)/t20-,28-/m0/s1
InChIKeyJKCJCGGWGYVYDD-MMTVBGGISA-N
XLogP5.80
TPSA118.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.66
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (4S,5R)-3-[[5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-[[5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-[[5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 118028840) is (4S,5R)-3-[[5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-[[5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-[[5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is COc1ncc(-c2c(C)n[nH]c2C)cc1-c1cnc(N2CCOCC2)nc1CN1C(=O)O[C@H](c2cc(C)cc(C(F)(F)F)c2)[C@@H]1C.
What is the InChIKey of (4S,5R)-3-[[5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is JKCJCGGWGYVYDD-MMTVBGGISA-N. The full InChI is InChI=1S/C32H34F3N7O4/c1-17-10-21(12-23(11-17)32(33,34)35)28-20(4)42(31(43)46-28)16-26-25(15-37-30(38-26)41-6-8-45-9-7-41)24-13-22(14-36-29(24)44-5)27-18(2)39-40-19(27)3/h10-15,20,28H,6-9,16H2,1-5H3,(H,39,40)/t20-,28-/m0/s1.
What are the key properties of (4S,5R)-3-[[5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
(4S,5R)-3-[[5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 637.66 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-[[5-[5-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxy-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]methyl]-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 118028840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).