(4S)-5-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C25H27F3N6O2 — CID 153354200

IUPAC(4S)-5-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1C(C)OC(=O)N1c1ccnc(N[C@@H](C)c2ncn3c2CCc2cc(C(F)(F)F)ccc2-3)n1
InChIInChI=1S/C25H27F3N6O2/c1-13(2)22-15(4)36-24(35)34(22)20-9-10-29-23(32-20)31-14(3)21-19-7-5-16-11-17(25(26,27)28)6-8-18(16)33(19)12-30-21/h6,8-15,22H,5,7H2,1-4H3,(H,29,31,32)/t14-,15?,22-/m0/s1
InChIKeySTHOKSLCQDWOPQ-YRZCMAPVSA-N
MW500.53 g/mol
LogP5.32
Rot. Bonds5

About (4S)-5-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

(4S)-5-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 153354200) has the molecular formula C25H27F3N6O2 and a molecular weight of 500.53 g/mol. Its IUPAC name is (4S)-5-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-5-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID153354200
Molecular FormulaC25H27F3N6O2
Molecular Weight500.53 g/mol
Exact Mass500.21
IUPAC Name(4S)-5-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1C(C)OC(=O)N1c1ccnc(N[C@@H](C)c2ncn3c2CCc2cc(C(F)(F)F)ccc2-3)n1
InChIInChI=1S/C25H27F3N6O2/c1-13(2)22-15(4)36-24(35)34(22)20-9-10-29-23(32-20)31-14(3)21-19-7-5-16-11-17(25(26,27)28)6-8-18(16)33(19)12-30-21/h6,8-15,22H,5,7H2,1-4H3,(H,29,31,32)/t14-,15?,22-/m0/s1
InChIKeySTHOKSLCQDWOPQ-YRZCMAPVSA-N
XLogP5.32
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.53
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4S)-5-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-5-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-5-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 153354200) is (4S)-5-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-5-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-5-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is CC(C)[C@H]1C(C)OC(=O)N1c1ccnc(N[C@@H](C)c2ncn3c2CCc2cc(C(F)(F)F)ccc2-3)n1.
What is the InChIKey of (4S)-5-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is STHOKSLCQDWOPQ-YRZCMAPVSA-N. The full InChI is InChI=1S/C25H27F3N6O2/c1-13(2)22-15(4)36-24(35)34(22)20-9-10-29-23(32-20)31-14(3)21-19-7-5-16-11-17(25(26,27)28)6-8-18(16)33(19)12-30-21/h6,8-15,22H,5,7H2,1-4H3,(H,29,31,32)/t14-,15?,22-/m0/s1.
What are the key properties of (4S)-5-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
(4S)-5-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 500.53 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-methyl-4-propan-2-yl-3-[2-[[(1S)-1-[7-(trifluoromethyl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 153354200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).