1-(2-fluorophenyl)-3-[2-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one

C28H30F4N6O3 — CID 58429055

IUPAC1-(2-fluorophenyl)-3-[2-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(NCCN4CCN(c5ccccc5F)C4=O)nc3)o2)C1
InChIInChI=1S/C28H30F4N6O3/c1-18-5-4-11-37(17-18)26-35-25(28(30,31)32)24(41-26)22(39)15-19-8-9-23(34-16-19)33-10-12-36-13-14-38(27(36)40)21-7-3-2-6-20(21)29/h2-3,6-9,16,18H,4-5,10-15,17H2,1H3,(H,33,34)
InChIKeyKYDRCOBMYYPXBU-UHFFFAOYSA-N
MW574.58 g/mol
LogP5.24
Rot. Bonds9

About 1-(2-fluorophenyl)-3-[2-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one

1-(2-fluorophenyl)-3-[2-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one (PubChem CID 58429055) has the molecular formula C28H30F4N6O3 and a molecular weight of 574.58 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[2-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[2-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one
PubChem CID58429055
Molecular FormulaC28H30F4N6O3
Molecular Weight574.58 g/mol
Exact Mass574.23
IUPAC Name1-(2-fluorophenyl)-3-[2-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(NCCN4CCN(c5ccccc5F)C4=O)nc3)o2)C1
InChIInChI=1S/C28H30F4N6O3/c1-18-5-4-11-37(17-18)26-35-25(28(30,31)32)24(41-26)22(39)15-19-8-9-23(34-16-19)33-10-12-36-13-14-38(27(36)40)21-7-3-2-6-20(21)29/h2-3,6-9,16,18H,4-5,10-15,17H2,1H3,(H,33,34)
InChIKeyKYDRCOBMYYPXBU-UHFFFAOYSA-N
XLogP5.24
TPSA94.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.58
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2-fluorophenyl)-3-[2-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]ethyl]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 1-(2-fluorophenyl)-3-[2-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-(2-fluorophenyl)-3-[2-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one (CID 58429055) is 1-(2-fluorophenyl)-3-[2-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[2-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-(2-fluorophenyl)-3-[2-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3ccc(NCCN4CCN(c5ccccc5F)C4=O)nc3)o2)C1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[2-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one?
The InChIKey is KYDRCOBMYYPXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F4N6O3/c1-18-5-4-11-37(17-18)26-35-25(28(30,31)32)24(41-26)22(39)15-19-8-9-23(34-16-19)33-10-12-36-13-14-38(27(36)40)21-7-3-2-6-20(21)29/h2-3,6-9,16,18H,4-5,10-15,17H2,1H3,(H,33,34).
What are the key properties of 1-(2-fluorophenyl)-3-[2-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one?
1-(2-fluorophenyl)-3-[2-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one has a molecular weight of 574.58 g/mol, XLogP of 5.24, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[2-[[5-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]-2-pyridinyl]amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 58429055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).