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

C22H24F3N5O2 — CID 158434824

IUPAC(4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one
SMILESCC(C)[C@H]1CN(c2ncc(C(F)(F)F)cn2)C(=O)N1CC(=O)Cc1cc(C2CC2)ccn1
InChIInChI=1S/C22H24F3N5O2/c1-13(2)19-12-30(20-27-9-16(10-28-20)22(23,24)25)21(32)29(19)11-18(31)8-17-7-15(5-6-26-17)14-3-4-14/h5-7,9-10,13-14,19H,3-4,8,11-12H2,1-2H3/t19-/m1/s1
InChIKeyHCCFKGFJXCFGKC-LJQANCHMSA-N
MW447.46 g/mol
LogP3.85
Rot. Bonds7

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

(4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one (PubChem CID 158434824) has the molecular formula C22H24F3N5O2 and a molecular weight of 447.46 g/mol. Its IUPAC name is (4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one
PubChem CID158434824
Molecular FormulaC22H24F3N5O2
Molecular Weight447.46 g/mol
Exact Mass447.19
IUPAC Name(4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one
SMILESCC(C)[C@H]1CN(c2ncc(C(F)(F)F)cn2)C(=O)N1CC(=O)Cc1cc(C2CC2)ccn1
InChIInChI=1S/C22H24F3N5O2/c1-13(2)19-12-30(20-27-9-16(10-28-20)22(23,24)25)21(32)29(19)11-18(31)8-17-7-15(5-6-26-17)14-3-4-14/h5-7,9-10,13-14,19H,3-4,8,11-12H2,1-2H3/t19-/m1/s1
InChIKeyHCCFKGFJXCFGKC-LJQANCHMSA-N
XLogP3.85
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one?
The IUPAC name of (4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one (CID 158434824) is (4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one.
What is the SMILES notation for (4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one?
The canonical SMILES for (4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one is CC(C)[C@H]1CN(c2ncc(C(F)(F)F)cn2)C(=O)N1CC(=O)Cc1cc(C2CC2)ccn1.
What is the InChIKey of (4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one?
The InChIKey is HCCFKGFJXCFGKC-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24F3N5O2/c1-13(2)19-12-30(20-27-9-16(10-28-20)22(23,24)25)21(32)29(19)11-18(31)8-17-7-15(5-6-26-17)14-3-4-14/h5-7,9-10,13-14,19H,3-4,8,11-12H2,1-2H3/t19-/m1/s1.
What are the key properties of (4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one?
(4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one has a molecular weight of 447.46 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-yl-1-[5-(trifluoromethyl)pyrimidin-2-yl]imidazolidin-2-one is sourced from PubChem (CID 158434824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).