US10285989, Example 132

C18H23F3N4O3 — CID 145996204

IUPAC2-morpholin-4-yl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide
SMILESC[C@H](C1=CC=C(C=C1)C(F)(F)F)NC(=O)C2CC(=O)NC(N2)N3CCOCC3
InChIInChI=1S/C18H23F3N4O3/c1-11(12-2-4-13(5-3-12)18(19,20)21)22-16(27)14-10-15(26)24-17(23-14)25-6-8-28-9-7-25/h2-5,11,14,17,23H,6-10H2,1H3,(H,22,27)(H,24,26)/t11-,14?,17?/m1/s1
InChIKeyPOQPMWSHJKZLDH-ACCOQDJYSA-N
MW400.40 g/mol
LogP0.90
Rot. Bonds4

About US10285989, Example 132

US10285989, Example 132 (PubChem CID 145996204) has the molecular formula C18H23F3N4O3 and a molecular weight of 400.40 g/mol. Its IUPAC name is 2-morpholin-4-yl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameUS10285989, Example 132
PubChem CID145996204
Molecular FormulaC18H23F3N4O3
Molecular Weight400.40 g/mol
Exact Mass400.17
IUPAC Name2-morpholin-4-yl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide
SMILESC[C@H](C1=CC=C(C=C1)C(F)(F)F)NC(=O)C2CC(=O)NC(N2)N3CCOCC3
InChIInChI=1S/C18H23F3N4O3/c1-11(12-2-4-13(5-3-12)18(19,20)21)22-16(27)14-10-15(26)24-17(23-14)25-6-8-28-9-7-25/h2-5,11,14,17,23H,6-10H2,1H3,(H,22,27)(H,24,26)/t11-,14?,17?/m1/s1
InChIKeyPOQPMWSHJKZLDH-ACCOQDJYSA-N
XLogP0.90
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity561

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze US10285989, Example 132 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 US10285989, Example 132?
The IUPAC name of US10285989, Example 132 (CID 145996204) is 2-morpholin-4-yl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide.
What is the SMILES notation for US10285989, Example 132?
The canonical SMILES for US10285989, Example 132 is C[C@H](C1=CC=C(C=C1)C(F)(F)F)NC(=O)C2CC(=O)NC(N2)N3CCOCC3.
What is the InChIKey of US10285989, Example 132?
The InChIKey is POQPMWSHJKZLDH-ACCOQDJYSA-N. The full InChI is InChI=1S/C18H23F3N4O3/c1-11(12-2-4-13(5-3-12)18(19,20)21)22-16(27)14-10-15(26)24-17(23-14)25-6-8-28-9-7-25/h2-5,11,14,17,23H,6-10H2,1H3,(H,22,27)(H,24,26)/t11-,14?,17?/m1/s1.
What are the key properties of US10285989, Example 132?
US10285989, Example 132 has a molecular weight of 400.40 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for US10285989, Example 132 is sourced from PubChem (CID 145996204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).