(4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-[(1S)-1-fluoropropyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one

C22H23F4N5O2 — CID 157155121

IUPAC(4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-[(1S)-1-fluoropropyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one
SMILESCC[C@H](F)[C@H]1CN(c2ncc(C(F)(F)F)cn2)C(=O)N1CC(=O)Cc1cc(C2CC2)ccn1
InChIInChI=1S/C22H23F4N5O2/c1-2-18(23)19-12-31(20-28-9-15(10-29-20)22(24,25)26)21(33)30(19)11-17(32)8-16-7-14(5-6-27-16)13-3-4-13/h5-7,9-10,13,18-19H,2-4,8,11-12H2,1H3/t18-,19+/m0/s1
InChIKeyALSFEUUFGVYORU-RBUKOAKNSA-N
MW465.45 g/mol
LogP3.94
Rot. Bonds8

About (4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-[(1S)-1-fluoropropyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one

(4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-[(1S)-1-fluoropropyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one (PubChem CID 157155121) has the molecular formula C22H23F4N5O2 and a molecular weight of 465.45 g/mol. Its IUPAC name is (4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-[(1S)-1-fluoropropyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-[(1S)-1-fluoropropyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one
PubChem CID157155121
Molecular FormulaC22H23F4N5O2
Molecular Weight465.45 g/mol
Exact Mass465.18
IUPAC Name(4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-[(1S)-1-fluoropropyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one
SMILESCC[C@H](F)[C@H]1CN(c2ncc(C(F)(F)F)cn2)C(=O)N1CC(=O)Cc1cc(C2CC2)ccn1
InChIInChI=1S/C22H23F4N5O2/c1-2-18(23)19-12-31(20-28-9-15(10-29-20)22(24,25)26)21(33)30(19)11-17(32)8-16-7-14(5-6-27-16)13-3-4-13/h5-7,9-10,13,18-19H,2-4,8,11-12H2,1H3/t18-,19+/m0/s1
InChIKeyALSFEUUFGVYORU-RBUKOAKNSA-N
XLogP3.94
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-[(1S)-1-fluoropropyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one?
The IUPAC name of (4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-[(1S)-1-fluoropropyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one (CID 157155121) is (4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-[(1S)-1-fluoropropyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one.
What is the SMILES notation for (4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-[(1S)-1-fluoropropyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one?
The canonical SMILES for (4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-[(1S)-1-fluoropropyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one is CC[C@H](F)[C@H]1CN(c2ncc(C(F)(F)F)cn2)C(=O)N1CC(=O)Cc1cc(C2CC2)ccn1.
What is the InChIKey of (4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-[(1S)-1-fluoropropyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one?
The InChIKey is ALSFEUUFGVYORU-RBUKOAKNSA-N. The full InChI is InChI=1S/C22H23F4N5O2/c1-2-18(23)19-12-31(20-28-9-15(10-29-20)22(24,25)26)21(33)30(19)11-17(32)8-16-7-14(5-6-27-16)13-3-4-13/h5-7,9-10,13,18-19H,2-4,8,11-12H2,1H3/t18-,19+/m0/s1.
What are the key properties of (4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-[(1S)-1-fluoropropyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one?
(4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-[(1S)-1-fluoropropyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one has a molecular weight of 465.45 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-[(1S)-1-fluoropropyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one is sourced from PubChem (CID 157155121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).