MGXFOJWDARJGJK-KSFYIVLOSA-N

Name: MGXFOJWDARJGJK-KSFYIVLOSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₇H₂₃F₃N₆O₂ — CID 153354193

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(4S)-4-phenyl-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

SMILESC[C@H](Nc1nccc(N2C(=O)OC[C@@H]2c2ccccc2)n1)c1ncn2c1CCc1cc(C(F)(F)F)ccc1-2

InChIInChI=1S/C27H23F3N6O2/c1-16(24-21-9-7-18-13-19(27(28,29)30)8-10-20(18)35(21)15-32-24)33-25-31-12-11-23(34-25)36-22(14-38-26(36)37)17-5-3-2-4-6-17/h2-6,8,10-13,15-16,22H,7,9,14H2,1H3,(H,31,33,34)/t16-,22+/m0/s1

InChIKeyMGXFOJWDARJGJK-KSFYIVLOSA-N

MW520.52 g/mol

LogP5.65

Rot. Bonds5

About MGXFOJWDARJGJK-KSFYIVLOSA-N

MGXFOJWDARJGJK-KSFYIVLOSA-N (PubChem CID 153354193) has the molecular formula C₂₇H₂₃F₃N₆O₂ and a molecular weight of 520.52 g/mol. Its IUPAC name is (4S)-4-phenyl-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	MGXFOJWDARJGJK-KSFYIVLOSA-N
PubChem CID	153354193
Molecular Formula	C₂₇H₂₃F₃N₆O₂
Molecular Weight	520.52 g/mol
Exact Mass	520.18
IUPAC Name	(4S)-4-phenyl-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
SMILES	C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2c2ccccc2)n1)c1ncn2c1CCc1cc(C(F)(F)F)ccc1-2
InChI	InChI=1S/C27H23F3N6O2/c1-16(24-21-9-7-18-13-19(27(28,29)30)8-10-20(18)35(21)15-32-24)33-25-31-12-11-23(34-25)36-22(14-38-26(36)37)17-5-3-2-4-6-17/h2-6,8,10-13,15-16,22H,7,9,14H2,1H3,(H,31,33,34)/t16-,22+/m0/s1
InChIKey	MGXFOJWDARJGJK-KSFYIVLOSA-N
XLogP	5.65
TPSA	85.17 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.52
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of MGXFOJWDARJGJK-KSFYIVLOSA-N?

The IUPAC name of MGXFOJWDARJGJK-KSFYIVLOSA-N (CID 153354193) is (4S)-4-phenyl-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 MGXFOJWDARJGJK-KSFYIVLOSA-N?

The canonical SMILES for MGXFOJWDARJGJK-KSFYIVLOSA-N is C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2c2ccccc2)n1)c1ncn2c1CCc1cc(C(F)(F)F)ccc1-2.

What is the InChIKey of MGXFOJWDARJGJK-KSFYIVLOSA-N?

The InChIKey is MGXFOJWDARJGJK-KSFYIVLOSA-N. The full InChI is InChI=1S/C27H23F3N6O2/c1-16(24-21-9-7-18-13-19(27(28,29)30)8-10-20(18)35(21)15-32-24)33-25-31-12-11-23(34-25)36-22(14-38-26(36)37)17-5-3-2-4-6-17/h2-6,8,10-13,15-16,22H,7,9,14H2,1H3,(H,31,33,34)/t16-,22+/m0/s1.

What are the key properties of MGXFOJWDARJGJK-KSFYIVLOSA-N?

MGXFOJWDARJGJK-KSFYIVLOSA-N has a molecular weight of 520.52 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for MGXFOJWDARJGJK-KSFYIVLOSA-N is sourced from PubChem (CID 153354193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 153354193 — identifiers, structure, computed properties (public domain)

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