(5S)-5-(4-fluorophenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-1,3,9-triazaspiro[5.5]undecan-2-one

C24H25F4N3O3 — CID 150313287

IUPAC(5S)-5-(4-fluorophenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-1,3,9-triazaspiro[5.5]undecan-2-one
SMILESCO[C@@](C(=O)N1CCC2(CC1)NC(=O)NC[C@@H]2c1ccc(F)cc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C24H25F4N3O3/c1-34-23(24(26,27)28,17-5-3-2-4-6-17)20(32)31-13-11-22(12-14-31)19(15-29-21(33)30-22)16-7-9-18(25)10-8-16/h2-10,19H,11-15H2,1H3,(H2,29,30,33)/t19-,23-/m1/s1
InChIKeyGMBQEHPFDLMUCM-AUSIDOKSSA-N
MW479.47 g/mol
LogP3.69
Rot. Bonds4

About (5S)-5-(4-fluorophenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-1,3,9-triazaspiro[5.5]undecan-2-one

(5S)-5-(4-fluorophenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-1,3,9-triazaspiro[5.5]undecan-2-one (PubChem CID 150313287) has the molecular formula C24H25F4N3O3 and a molecular weight of 479.47 g/mol. Its IUPAC name is (5S)-5-(4-fluorophenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-1,3,9-triazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name(5S)-5-(4-fluorophenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-1,3,9-triazaspiro[5.5]undecan-2-one
PubChem CID150313287
Molecular FormulaC24H25F4N3O3
Molecular Weight479.47 g/mol
Exact Mass479.18
IUPAC Name(5S)-5-(4-fluorophenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-1,3,9-triazaspiro[5.5]undecan-2-one
SMILESCO[C@@](C(=O)N1CCC2(CC1)NC(=O)NC[C@@H]2c1ccc(F)cc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C24H25F4N3O3/c1-34-23(24(26,27)28,17-5-3-2-4-6-17)20(32)31-13-11-22(12-14-31)19(15-29-21(33)30-22)16-7-9-18(25)10-8-16/h2-10,19H,11-15H2,1H3,(H2,29,30,33)/t19-,23-/m1/s1
InChIKeyGMBQEHPFDLMUCM-AUSIDOKSSA-N
XLogP3.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.47
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5S)-5-(4-fluorophenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-1,3,9-triazaspiro[5.5]undecan-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 (5S)-5-(4-fluorophenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-1,3,9-triazaspiro[5.5]undecan-2-one?
The IUPAC name of (5S)-5-(4-fluorophenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-1,3,9-triazaspiro[5.5]undecan-2-one (CID 150313287) is (5S)-5-(4-fluorophenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-1,3,9-triazaspiro[5.5]undecan-2-one.
What is the SMILES notation for (5S)-5-(4-fluorophenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-1,3,9-triazaspiro[5.5]undecan-2-one?
The canonical SMILES for (5S)-5-(4-fluorophenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-1,3,9-triazaspiro[5.5]undecan-2-one is CO[C@@](C(=O)N1CCC2(CC1)NC(=O)NC[C@@H]2c1ccc(F)cc1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (5S)-5-(4-fluorophenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-1,3,9-triazaspiro[5.5]undecan-2-one?
The InChIKey is GMBQEHPFDLMUCM-AUSIDOKSSA-N. The full InChI is InChI=1S/C24H25F4N3O3/c1-34-23(24(26,27)28,17-5-3-2-4-6-17)20(32)31-13-11-22(12-14-31)19(15-29-21(33)30-22)16-7-9-18(25)10-8-16/h2-10,19H,11-15H2,1H3,(H2,29,30,33)/t19-,23-/m1/s1.
What are the key properties of (5S)-5-(4-fluorophenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-1,3,9-triazaspiro[5.5]undecan-2-one?
(5S)-5-(4-fluorophenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-1,3,9-triazaspiro[5.5]undecan-2-one has a molecular weight of 479.47 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-fluorophenyl)-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-1,3,9-triazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 150313287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).