tris(2-chloro-5-(trifluoromethyl)pyridine);(3S)-3-methylpyrrolidine;2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine;bis(2-[(3S)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine);(3S)-pyrrolidin-3-amine;(3R)-pyrrolidin-3-ol;(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol

C84H101Cl3F24N18O2 — CID 161265405

IUPACtris(2-chloro-5-(trifluoromethyl)pyridine);(3S)-3-methylpyrrolidine;2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine;bis(2-[(3S)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine);(3S)-pyrrolidin-3-amine;(3R)-pyrrolidin-3-ol;(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
SMILESC[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1.C[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1.C[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1.C[C@H]1CCNC1.FC(F)(F)c1ccc(Cl)nc1.FC(F)(F)c1ccc(Cl)nc1.FC(F)(F)c1ccc(Cl)nc1.N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1.N[C@H]1CCNC1.O[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1.O[C@@H]1CCNC1
InChIInChI=1S/3C11H13F3N2.C10H12F3N3.C10H11F3N2O.3C6H3ClF3N.C5H11N.C4H10N2.C4H9NO/c3*1-8-4-5-16(7-8)10-3-2-9(6-15-10)11(12,13)14;11-10(12,13)7-1-2-9(15-5-7)16-4-3-8(14)6-16;11-10(12,13)7-1-2-9(14-5-7)15-4-3-8(16)6-15;3*7-5-2-1-4(3-11-5)6(8,9)10;1-5-2-3-6-4-5;5-4-1-2-6-3-4;6-4-1-2-5-3-4/h3*2-3,6,8H,4-5,7H2,1H3;1-2,5,8H,3-4,6,14H2;1-2,5,8,16H,3-4,6H2;3*1-3H;5-6H,2-4H2,1H3;4,6H,1-3,5H2;4-6H,1-3H2/t5*8-;;;;5-;2*4-/m10001...001/s1
InChIKeyVDCOZNYEVGJQNM-UQYZSKQASA-N
MW1957.17 g/mol
LogP19.67
Rot. Bonds5

About tris(2-chloro-5-(trifluoromethyl)pyridine);(3S)-3-methylpyrrolidine;2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine;bis(2-[(3S)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine);(3S)-pyrrolidin-3-amine;(3R)-pyrrolidin-3-ol;(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol

tris(2-chloro-5-(trifluoromethyl)pyridine);(3S)-3-methylpyrrolidine;2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine;bis(2-[(3S)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine);(3S)-pyrrolidin-3-amine;(3R)-pyrrolidin-3-ol;(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 161265405) has the molecular formula C84H101Cl3F24N18O2 and a molecular weight of 1957.17 g/mol. Its IUPAC name is tris(2-chloro-5-(trifluoromethyl)pyridine);(3S)-3-methylpyrrolidine;2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine;bis(2-[(3S)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine);(3S)-pyrrolidin-3-amine;(3R)-pyrrolidin-3-ol;(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

Compound Nametris(2-chloro-5-(trifluoromethyl)pyridine);(3S)-3-methylpyrrolidine;2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine;bis(2-[(3S)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine);(3S)-pyrrolidin-3-amine;(3R)-pyrrolidin-3-ol;(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
PubChem CID161265405
Molecular FormulaC84H101Cl3F24N18O2
Molecular Weight1957.17 g/mol
Exact Mass1954.70
IUPAC Nametris(2-chloro-5-(trifluoromethyl)pyridine);(3S)-3-methylpyrrolidine;2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine;bis(2-[(3S)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine);(3S)-pyrrolidin-3-amine;(3R)-pyrrolidin-3-ol;(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
SMILESC[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1.C[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1.C[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1.C[C@H]1CCNC1.FC(F)(F)c1ccc(Cl)nc1.FC(F)(F)c1ccc(Cl)nc1.FC(F)(F)c1ccc(Cl)nc1.N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1.N[C@H]1CCNC1.O[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1.O[C@@H]1CCNC1
InChIInChI=1S/3C11H13F3N2.C10H12F3N3.C10H11F3N2O.3C6H3ClF3N.C5H11N.C4H10N2.C4H9NO/c3*1-8-4-5-16(7-8)10-3-2-9(6-15-10)11(12,13)14;11-10(12,13)7-1-2-9(15-5-7)16-4-3-8(14)6-16;11-10(12,13)7-1-2-9(14-5-7)15-4-3-8(16)6-15;3*7-5-2-1-4(3-11-5)6(8,9)10;1-5-2-3-6-4-5;5-4-1-2-6-3-4;6-4-1-2-5-3-4/h3*2-3,6,8H,4-5,7H2,1H3;1-2,5,8H,3-4,6,14H2;1-2,5,8,16H,3-4,6H2;3*1-3H;5-6H,2-4H2,1H3;4,6H,1-3,5H2;4-6H,1-3H2/t5*8-;;;;5-;2*4-/m10001...001/s1
InChIKeyVDCOZNYEVGJQNM-UQYZSKQASA-N
XLogP19.67
TPSA247.91 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds5
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001957.17
LogP ≤ 519.67
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze tris(2-chloro-5-(trifluoromethyl)pyridine);(3S)-3-methylpyrrolidine;2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine;bis(2-[(3S)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine);(3S)-pyrrolidin-3-amine;(3R)-pyrrolidin-3-ol;(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,4R)-2-benzyl-2,5-diazabicyclo[2.2.1]heptan-7-ol;tert-butyl (1R,4R)-7-hydroxy-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (1R,4R)-7-hydroxy-5-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;(1R,4R)-7-fluoro-2-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-[4-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptan-7-ol
CID 157427886
(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-deuterio-4-methyl-5-propan-2-ylimidazolidin-2-one;(4R)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1-methylimidazolidin-2-one;(5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
CID 157139534
1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-[[(3S)-piperidin-3-yl]methylamino]-3-pyridinyl]pyrrolidin-3-ol;(3S)-1-[6-[(5-ethynylpyrazin-2-yl)amino]-4-(piperidin-3-ylmethylamino)-3-pyridinyl]pyrrolidin-3-ol;2-N-(5-ethynylpyrazin-2-yl)-4-N-(1-methylpiperidin-4-yl)-5-pyrrol-1-ylpyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-5-[3-(morpholin-4-ylmethyl)pyrrol-1-yl]-4-N-(piperidin-3-ylmethyl)pyridine-2,4-diamine;2-N-(5-ethynylpyrazin-2-yl)-4-N-(piperidin-3-ylmethyl)-5-pyrrolidin-1-ylpyridine-2,4-diamine
CID 158385428

Frequently Asked Questions

What is the IUPAC name of tris(2-chloro-5-(trifluoromethyl)pyridine);(3S)-3-methylpyrrolidine;2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine;bis(2-[(3S)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine);(3S)-pyrrolidin-3-amine;(3R)-pyrrolidin-3-ol;(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
The IUPAC name of tris(2-chloro-5-(trifluoromethyl)pyridine);(3S)-3-methylpyrrolidine;2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine;bis(2-[(3S)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine);(3S)-pyrrolidin-3-amine;(3R)-pyrrolidin-3-ol;(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol (CID 161265405) is tris(2-chloro-5-(trifluoromethyl)pyridine);(3S)-3-methylpyrrolidine;2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine;bis(2-[(3S)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine);(3S)-pyrrolidin-3-amine;(3R)-pyrrolidin-3-ol;(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol.
What is the SMILES notation for tris(2-chloro-5-(trifluoromethyl)pyridine);(3S)-3-methylpyrrolidine;2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine;bis(2-[(3S)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine);(3S)-pyrrolidin-3-amine;(3R)-pyrrolidin-3-ol;(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
The canonical SMILES for tris(2-chloro-5-(trifluoromethyl)pyridine);(3S)-3-methylpyrrolidine;2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine;bis(2-[(3S)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine);(3S)-pyrrolidin-3-amine;(3R)-pyrrolidin-3-ol;(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol is C[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1.C[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1.C[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1.C[C@H]1CCNC1.FC(F)(F)c1ccc(Cl)nc1.FC(F)(F)c1ccc(Cl)nc1.FC(F)(F)c1ccc(Cl)nc1.N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1.N[C@H]1CCNC1.O[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1.O[C@@H]1CCNC1.
What is the InChIKey of tris(2-chloro-5-(trifluoromethyl)pyridine);(3S)-3-methylpyrrolidine;2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine;bis(2-[(3S)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine);(3S)-pyrrolidin-3-amine;(3R)-pyrrolidin-3-ol;(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
The InChIKey is VDCOZNYEVGJQNM-UQYZSKQASA-N. The full InChI is InChI=1S/3C11H13F3N2.C10H12F3N3.C10H11F3N2O.3C6H3ClF3N.C5H11N.C4H10N2.C4H9NO/c3*1-8-4-5-16(7-8)10-3-2-9(6-15-10)11(12,13)14;11-10(12,13)7-1-2-9(15-5-7)16-4-3-8(14)6-16;11-10(12,13)7-1-2-9(14-5-7)15-4-3-8(16)6-15;3*7-5-2-1-4(3-11-5)6(8,9)10;1-5-2-3-6-4-5;5-4-1-2-6-3-4;6-4-1-2-5-3-4/h3*2-3,6,8H,4-5,7H2,1H3;1-2,5,8H,3-4,6,14H2;1-2,5,8,16H,3-4,6H2;3*1-3H;5-6H,2-4H2,1H3;4,6H,1-3,5H2;4-6H,1-3H2/t5*8-;;;;5-;2*4-/m10001...001/s1.
What are the key properties of tris(2-chloro-5-(trifluoromethyl)pyridine);(3S)-3-methylpyrrolidine;2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine;bis(2-[(3S)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine);(3S)-pyrrolidin-3-amine;(3R)-pyrrolidin-3-ol;(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol?
tris(2-chloro-5-(trifluoromethyl)pyridine);(3S)-3-methylpyrrolidine;2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine;bis(2-[(3S)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine);(3S)-pyrrolidin-3-amine;(3R)-pyrrolidin-3-ol;(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 1957.17 g/mol, XLogP of 19.67, 5 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-chloro-5-(trifluoromethyl)pyridine);(3S)-3-methylpyrrolidine;2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine;bis(2-[(3S)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine);(3S)-pyrrolidin-3-amine;(3R)-pyrrolidin-3-ol;(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 161265405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).