(1R)-1-(4-fluorophenyl)-1-N-[(1S)-1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-2-N-methylprop-2-ene-1,2-diamine

C25H24F5N3 — CID 70293103

IUPAC(1R)-1-(4-fluorophenyl)-1-N-[(1S)-1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-2-N-methylprop-2-ene-1,2-diamine
SMILESC=C(NC)[C@H](N[C@@H](CCc1ccc(C(F)(F)F)nc1)c1cccc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C25H24F5N3/c1-16(31-2)24(18-8-10-20(26)11-9-18)33-22(19-4-3-5-21(27)14-19)12-6-17-7-13-23(32-15-17)25(28,29)30/h3-5,7-11,13-15,22,24,31,33H,1,6,12H2,2H3/t22-,24-/m0/s1
InChIKeyTVVFSUUKWNBSES-UPVQGACJSA-N
MW461.48 g/mol
LogP6.12
Rot. Bonds9

About (1R)-1-(4-fluorophenyl)-1-N-[(1S)-1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-2-N-methylprop-2-ene-1,2-diamine

(1R)-1-(4-fluorophenyl)-1-N-[(1S)-1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-2-N-methylprop-2-ene-1,2-diamine (PubChem CID 70293103) has the molecular formula C25H24F5N3 and a molecular weight of 461.48 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-1-N-[(1S)-1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-2-N-methylprop-2-ene-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-1-N-[(1S)-1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-2-N-methylprop-2-ene-1,2-diamine
PubChem CID70293103
Molecular FormulaC25H24F5N3
Molecular Weight461.48 g/mol
Exact Mass461.19
IUPAC Name(1R)-1-(4-fluorophenyl)-1-N-[(1S)-1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-2-N-methylprop-2-ene-1,2-diamine
SMILESC=C(NC)[C@H](N[C@@H](CCc1ccc(C(F)(F)F)nc1)c1cccc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C25H24F5N3/c1-16(31-2)24(18-8-10-20(26)11-9-18)33-22(19-4-3-5-21(27)14-19)12-6-17-7-13-23(32-15-17)25(28,29)30/h3-5,7-11,13-15,22,24,31,33H,1,6,12H2,2H3/t22-,24-/m0/s1
InChIKeyTVVFSUUKWNBSES-UPVQGACJSA-N
XLogP6.12
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.48
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-1-(4-fluorophenyl)-1-N-[(1S)-1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-2-N-methylprop-2-ene-1,2-diamine 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 (1R)-1-(4-fluorophenyl)-1-N-[(1S)-1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-2-N-methylprop-2-ene-1,2-diamine?
The IUPAC name of (1R)-1-(4-fluorophenyl)-1-N-[(1S)-1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-2-N-methylprop-2-ene-1,2-diamine (CID 70293103) is (1R)-1-(4-fluorophenyl)-1-N-[(1S)-1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-2-N-methylprop-2-ene-1,2-diamine.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-1-N-[(1S)-1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-2-N-methylprop-2-ene-1,2-diamine?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-1-N-[(1S)-1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-2-N-methylprop-2-ene-1,2-diamine is C=C(NC)[C@H](N[C@@H](CCc1ccc(C(F)(F)F)nc1)c1cccc(F)c1)c1ccc(F)cc1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-1-N-[(1S)-1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-2-N-methylprop-2-ene-1,2-diamine?
The InChIKey is TVVFSUUKWNBSES-UPVQGACJSA-N. The full InChI is InChI=1S/C25H24F5N3/c1-16(31-2)24(18-8-10-20(26)11-9-18)33-22(19-4-3-5-21(27)14-19)12-6-17-7-13-23(32-15-17)25(28,29)30/h3-5,7-11,13-15,22,24,31,33H,1,6,12H2,2H3/t22-,24-/m0/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-1-N-[(1S)-1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-2-N-methylprop-2-ene-1,2-diamine?
(1R)-1-(4-fluorophenyl)-1-N-[(1S)-1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-2-N-methylprop-2-ene-1,2-diamine has a molecular weight of 461.48 g/mol, XLogP of 6.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-1-N-[(1S)-1-(3-fluorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-2-N-methylprop-2-ene-1,2-diamine is sourced from PubChem (CID 70293103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).