(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C20H19F4N7O2 — CID 90415067

IUPAC(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ccn(-c2ccc(C(F)(F)F)nc2)n1
InChIInChI=1S/C20H19F4N7O2/c1-11(21)15-10-33-19(32)31(15)17-5-7-25-18(28-17)27-12(2)14-6-8-30(29-14)13-3-4-16(26-9-13)20(22,23)24/h3-9,11-12,15H,10H2,1-2H3,(H,25,27,28)/t11-,12-,15+/m0/s1
InChIKeyQLUIPEQIKSKHHT-SLEUVZQESA-N
MW465.41 g/mol
LogP3.93
Rot. Bonds6

About (4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 90415067) has the molecular formula C20H19F4N7O2 and a molecular weight of 465.41 g/mol. Its IUPAC name is (4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID90415067
Molecular FormulaC20H19F4N7O2
Molecular Weight465.41 g/mol
Exact Mass465.15
IUPAC Name(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ccn(-c2ccc(C(F)(F)F)nc2)n1
InChIInChI=1S/C20H19F4N7O2/c1-11(21)15-10-33-19(32)31(15)17-5-7-25-18(28-17)27-12(2)14-6-8-30(29-14)13-3-4-16(26-9-13)20(22,23)24/h3-9,11-12,15H,10H2,1-2H3,(H,25,27,28)/t11-,12-,15+/m0/s1
InChIKeyQLUIPEQIKSKHHT-SLEUVZQESA-N
XLogP3.93
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-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 (4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 90415067) is (4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ccn(-c2ccc(C(F)(F)F)nc2)n1.
What is the InChIKey of (4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is QLUIPEQIKSKHHT-SLEUVZQESA-N. The full InChI is InChI=1S/C20H19F4N7O2/c1-11(21)15-10-33-19(32)31(15)17-5-7-25-18(28-17)27-12(2)14-6-8-30(29-14)13-3-4-16(26-9-13)20(22,23)24/h3-9,11-12,15H,10H2,1-2H3,(H,25,27,28)/t11-,12-,15+/m0/s1.
What are the key properties of (4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 465.41 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90415067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).