(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-phenyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen

C92H111F9N20O4 — CID 157381281

IUPAC(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-phenyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
SMILESC=Cc1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1C(=O)c1cccnc1N.CC(C)[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)C[C@@H](c2ccccc2)N1.Nc1ncccc1C(=O)c1nc(N2CCN[C@@H](c3ccccc3)C2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(N2CCN[C@H](c3ccccc3)C2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H26F3N5O.C23H23N5O.2C22H20F3N5O.11H2/c1-15(2)19-13-33(14-20(31-19)16-7-4-3-5-8-16)21-11-10-18(25(26,27)28)22(32-21)23(34)17-9-6-12-30-24(17)29;1-2-16-10-11-20(27-21(16)22(29)18-9-6-12-26-23(18)24)28-14-13-25-19(15-28)17-7-4-3-5-8-17;2*23-22(24,25)16-8-9-18(29-19(16)20(31)15-7-4-10-28-21(15)26)30-12-11-27-17(13-30)14-5-2-1-3-6-14;;;;;;;;;;;/h3-12,15,19-20,31H,13-14H2,1-2H3,(H2,29,30);2-12,19,25H,1,13-15H2,(H2,24,26);2*1-10,17,27H,11-13H2,(H2,26,28);11*1H/t19-,20+;19-;2*17-;;;;;;;;;;;/m1110.........../s1
InChIKeyBKXJFDWUKPVKDY-LIYCYVLVSA-N
MW1732.02 g/mol
LogP17.19
Rot. Bonds18

About (2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-phenyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen

(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-phenyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 157381281) has the molecular formula C92H111F9N20O4 and a molecular weight of 1732.02 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-phenyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-phenyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
PubChem CID157381281
Molecular FormulaC92H111F9N20O4
Molecular Weight1732.02 g/mol
Exact Mass1730.90
IUPAC Name(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-phenyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
SMILESC=Cc1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1C(=O)c1cccnc1N.CC(C)[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)C[C@@H](c2ccccc2)N1.Nc1ncccc1C(=O)c1nc(N2CCN[C@@H](c3ccccc3)C2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(N2CCN[C@H](c3ccccc3)C2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H26F3N5O.C23H23N5O.2C22H20F3N5O.11H2/c1-15(2)19-13-33(14-20(31-19)16-7-4-3-5-8-16)21-11-10-18(25(26,27)28)22(32-21)23(34)17-9-6-12-30-24(17)29;1-2-16-10-11-20(27-21(16)22(29)18-9-6-12-26-23(18)24)28-14-13-25-19(15-28)17-7-4-3-5-8-17;2*23-22(24,25)16-8-9-18(29-19(16)20(31)15-7-4-10-28-21(15)26)30-12-11-27-17(13-30)14-5-2-1-3-6-14;;;;;;;;;;;/h3-12,15,19-20,31H,13-14H2,1-2H3,(H2,29,30);2-12,19,25H,1,13-15H2,(H2,24,26);2*1-10,17,27H,11-13H2,(H2,26,28);11*1H/t19-,20+;19-;2*17-;;;;;;;;;;;/m1110.........../s1
InChIKeyBKXJFDWUKPVKDY-LIYCYVLVSA-N
XLogP17.19
TPSA336.56 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001732.02
LogP ≤ 517.19
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze (2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-phenyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen 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

(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-phenyl-2-pyridinyl]methanone
CID 57690545
(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 24993483
(2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]methanone
CID 24993785
(2-amino-3-pyridinyl)-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone
CID 24993787
(2-amino-3-pyridinyl)-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone
CID 24994105
(2-Amino-3-pyridinyl)-[6-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]methanone
CID 24994106
(2-amino-3-pyridinyl)-[3-cyclopropyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 24995040
(S)-(2-aminopyridin-3-yl)(6-(3-isobutylpiperazin-1-yl)-3-(trifluoromethyl)pyridin-2-yl)methanone
CID 24995659
(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone
CID 57690468
(2-amino-3-pyridinyl)-[6-[(3R)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]methanone
CID 57690486
(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]methanone
CID 57690510
(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone
CID 57690683

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-phenyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The IUPAC name of (2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-phenyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen (CID 157381281) is (2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-phenyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen.
What is the SMILES notation for (2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-phenyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The canonical SMILES for (2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-phenyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen is C=Cc1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1C(=O)c1cccnc1N.CC(C)[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)C[C@@H](c2ccccc2)N1.Nc1ncccc1C(=O)c1nc(N2CCN[C@@H](c3ccccc3)C2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(N2CCN[C@H](c3ccccc3)C2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of (2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-phenyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The InChIKey is BKXJFDWUKPVKDY-LIYCYVLVSA-N. The full InChI is InChI=1S/C25H26F3N5O.C23H23N5O.2C22H20F3N5O.11H2/c1-15(2)19-13-33(14-20(31-19)16-7-4-3-5-8-16)21-11-10-18(25(26,27)28)22(32-21)23(34)17-9-6-12-30-24(17)29;1-2-16-10-11-20(27-21(16)22(29)18-9-6-12-26-23(18)24)28-14-13-25-19(15-28)17-7-4-3-5-8-17;2*23-22(24,25)16-8-9-18(29-19(16)20(31)15-7-4-10-28-21(15)26)30-12-11-27-17(13-30)14-5-2-1-3-6-14;;;;;;;;;;;/h3-12,15,19-20,31H,13-14H2,1-2H3,(H2,29,30);2-12,19,25H,1,13-15H2,(H2,24,26);2*1-10,17,27H,11-13H2,(H2,26,28);11*1H/t19-,20+;19-;2*17-;;;;;;;;;;;/m1110.........../s1.
What are the key properties of (2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-phenyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-phenyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 1732.02 g/mol, XLogP of 17.19, 18 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-phenyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 157381281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).