4-[5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]morpholine

C23H26ClFN6O — CID 20779088

IUPAC4-[5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]morpholine
SMILESCc1[nH]cnc1C1CCN(c2nc(N3CCOCC3)ncc2-c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C23H26ClFN6O/c1-15-21(28-14-27-15)16-4-6-30(7-5-16)22-18(17-2-3-20(25)19(24)12-17)13-26-23(29-22)31-8-10-32-11-9-31/h2-3,12-14,16H,4-11H2,1H3,(H,27,28)
InChIKeyVAABZINOYGLXRS-UHFFFAOYSA-N
MW456.95 g/mol
LogP4.19
Rot. Bonds4

About 4-[5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]morpholine

4-[5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]morpholine (PubChem CID 20779088) has the molecular formula C23H26ClFN6O and a molecular weight of 456.95 g/mol. Its IUPAC name is 4-[5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]morpholine
PubChem CID20779088
Molecular FormulaC23H26ClFN6O
Molecular Weight456.95 g/mol
Exact Mass456.18
IUPAC Name4-[5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]morpholine
SMILESCc1[nH]cnc1C1CCN(c2nc(N3CCOCC3)ncc2-c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C23H26ClFN6O/c1-15-21(28-14-27-15)16-4-6-30(7-5-16)22-18(17-2-3-20(25)19(24)12-17)13-26-23(29-22)31-8-10-32-11-9-31/h2-3,12-14,16H,4-11H2,1H3,(H,27,28)
InChIKeyVAABZINOYGLXRS-UHFFFAOYSA-N
XLogP4.19
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.95
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]morpholine 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 4-[5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]morpholine (CID 20779088) is 4-[5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]morpholine is Cc1[nH]cnc1C1CCN(c2nc(N3CCOCC3)ncc2-c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 4-[5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]morpholine?
The InChIKey is VAABZINOYGLXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN6O/c1-15-21(28-14-27-15)16-4-6-30(7-5-16)22-18(17-2-3-20(25)19(24)12-17)13-26-23(29-22)31-8-10-32-11-9-31/h2-3,12-14,16H,4-11H2,1H3,(H,27,28).
What are the key properties of 4-[5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]morpholine?
4-[5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]morpholine has a molecular weight of 456.95 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-chloro-4-fluorophenyl)-4-[4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 20779088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).