(4R)-4-[(1S)-1-fluoropropyl]-1-(5-methoxypyrimidin-2-yl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one

C20H21F4N5O3 — CID 152891069

IUPAC(4R)-4-[(1S)-1-fluoropropyl]-1-(5-methoxypyrimidin-2-yl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one
SMILESCC[C@H](F)[C@H]1CN(c2ncc(OC)cn2)C(=O)N1CC(=O)Cc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C20H21F4N5O3/c1-3-16(21)17-11-29(18-26-8-15(32-2)9-27-18)19(31)28(17)10-14(30)7-13-6-12(4-5-25-13)20(22,23)24/h4-6,8-9,16-17H,3,7,10-11H2,1-2H3/t16-,17+/m0/s1
InChIKeyUDLRRCIOEHDCOL-DLBZAZTESA-N
MW455.41 g/mol
LogP3.07
Rot. Bonds8

About (4R)-4-[(1S)-1-fluoropropyl]-1-(5-methoxypyrimidin-2-yl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one

(4R)-4-[(1S)-1-fluoropropyl]-1-(5-methoxypyrimidin-2-yl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one (PubChem CID 152891069) has the molecular formula C20H21F4N5O3 and a molecular weight of 455.41 g/mol. Its IUPAC name is (4R)-4-[(1S)-1-fluoropropyl]-1-(5-methoxypyrimidin-2-yl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1S)-1-fluoropropyl]-1-(5-methoxypyrimidin-2-yl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one
PubChem CID152891069
Molecular FormulaC20H21F4N5O3
Molecular Weight455.41 g/mol
Exact Mass455.16
IUPAC Name(4R)-4-[(1S)-1-fluoropropyl]-1-(5-methoxypyrimidin-2-yl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one
SMILESCC[C@H](F)[C@H]1CN(c2ncc(OC)cn2)C(=O)N1CC(=O)Cc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C20H21F4N5O3/c1-3-16(21)17-11-29(18-26-8-15(32-2)9-27-18)19(31)28(17)10-14(30)7-13-6-12(4-5-25-13)20(22,23)24/h4-6,8-9,16-17H,3,7,10-11H2,1-2H3/t16-,17+/m0/s1
InChIKeyUDLRRCIOEHDCOL-DLBZAZTESA-N
XLogP3.07
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.41
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1S)-1-fluoropropyl]-1-(5-methoxypyrimidin-2-yl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one?
The IUPAC name of (4R)-4-[(1S)-1-fluoropropyl]-1-(5-methoxypyrimidin-2-yl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one (CID 152891069) is (4R)-4-[(1S)-1-fluoropropyl]-1-(5-methoxypyrimidin-2-yl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one.
What is the SMILES notation for (4R)-4-[(1S)-1-fluoropropyl]-1-(5-methoxypyrimidin-2-yl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one?
The canonical SMILES for (4R)-4-[(1S)-1-fluoropropyl]-1-(5-methoxypyrimidin-2-yl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one is CC[C@H](F)[C@H]1CN(c2ncc(OC)cn2)C(=O)N1CC(=O)Cc1cc(C(F)(F)F)ccn1.
What is the InChIKey of (4R)-4-[(1S)-1-fluoropropyl]-1-(5-methoxypyrimidin-2-yl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one?
The InChIKey is UDLRRCIOEHDCOL-DLBZAZTESA-N. The full InChI is InChI=1S/C20H21F4N5O3/c1-3-16(21)17-11-29(18-26-8-15(32-2)9-27-18)19(31)28(17)10-14(30)7-13-6-12(4-5-25-13)20(22,23)24/h4-6,8-9,16-17H,3,7,10-11H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of (4R)-4-[(1S)-1-fluoropropyl]-1-(5-methoxypyrimidin-2-yl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one?
(4R)-4-[(1S)-1-fluoropropyl]-1-(5-methoxypyrimidin-2-yl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one has a molecular weight of 455.41 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S)-1-fluoropropyl]-1-(5-methoxypyrimidin-2-yl)-3-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]imidazolidin-2-one is sourced from PubChem (CID 152891069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).