(4S)-3-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C22H23ClN6O2 — CID 141492780

IUPAC(4S)-3-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(NC2(c3cn(-c4ccc(Cl)cc4)cn3)CC2)n1
InChIInChI=1S/C22H23ClN6O2/c1-14(2)17-12-31-21(30)29(17)19-7-10-24-20(26-19)27-22(8-9-22)18-11-28(13-25-18)16-5-3-15(23)4-6-16/h3-7,10-11,13-14,17H,8-9,12H2,1-2H3,(H,24,26,27)/t17-/m1/s1
InChIKeyCSIZUEVCTQKWSK-QGZVFWFLSA-N
MW438.92 g/mol
LogP4.40
Rot. Bonds6

About (4S)-3-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 141492780) has the molecular formula C22H23ClN6O2 and a molecular weight of 438.92 g/mol. Its IUPAC name is (4S)-3-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID141492780
Molecular FormulaC22H23ClN6O2
Molecular Weight438.92 g/mol
Exact Mass438.16
IUPAC Name(4S)-3-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(NC2(c3cn(-c4ccc(Cl)cc4)cn3)CC2)n1
InChIInChI=1S/C22H23ClN6O2/c1-14(2)17-12-31-21(30)29(17)19-7-10-24-20(26-19)27-22(8-9-22)18-11-28(13-25-18)16-5-3-15(23)4-6-16/h3-7,10-11,13-14,17H,8-9,12H2,1-2H3,(H,24,26,27)/t17-/m1/s1
InChIKeyCSIZUEVCTQKWSK-QGZVFWFLSA-N
XLogP4.40
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4S)-3-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-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-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 141492780) is (4S)-3-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1c1ccnc(NC2(c3cn(-c4ccc(Cl)cc4)cn3)CC2)n1.
What is the InChIKey of (4S)-3-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is CSIZUEVCTQKWSK-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H23ClN6O2/c1-14(2)17-12-31-21(30)29(17)19-7-10-24-20(26-19)27-22(8-9-22)18-11-28(13-25-18)16-5-3-15(23)4-6-16/h3-7,10-11,13-14,17H,8-9,12H2,1-2H3,(H,24,26,27)/t17-/m1/s1.
What are the key properties of (4S)-3-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 438.92 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[[1-[1-(4-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 141492780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).