(2-amino-5-ethenyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen

C84H116F10N20O4 — CID 158564096

IUPAC(2-amino-5-ethenyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
SMILESC=C(F)c1ccc(N2CCN[C@@H](C)C2)nc1C(=O)c1cccnc1N.C=Cc1cnc(N)c(C(=O)c2nc(N3CCN[C@@H](CC(C)C)C3)ccc2C(F)(F)F)c1.CC[C@@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)C[C@H](CC(C)C)N1.CCc1cnc(N)c(C(=O)c2nc(N3CCN[C@@H](CC(C)C)C3)ccc2C(F)(F)F)c1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C22H28F3N5O.C22H26F3N5O.C22H28F3N5O.C18H20FN5O.7H2/c2*1-4-14-10-16(21(26)28-11-14)20(31)19-17(22(23,24)25)5-6-18(29-19)30-8-7-27-15(12-30)9-13(2)3;1-4-14-11-30(12-15(28-14)10-13(2)3)18-8-7-17(22(23,24)25)19(29-18)20(31)16-6-5-9-27-21(16)26;1-11-10-24(9-8-21-11)15-6-5-13(12(2)19)16(23-15)17(25)14-4-3-7-22-18(14)20;;;;;;;/h5-6,10-11,13,15,27H,4,7-9,12H2,1-3H3,(H2,26,28);4-6,10-11,13,15,27H,1,7-9,12H2,2-3H3,(H2,26,28);5-9,13-15,28H,4,10-12H2,1-3H3,(H2,26,27);3-7,11,21H,2,8-10H2,1H3,(H2,20,22);7*1H/t2*15-;14-,15+;11-;;;;;;;/m0010......./s1
InChIKeyHRGHPRYCGGUWFQ-PZDJHUBZSA-N
MW1659.97 g/mol
LogP15.13
Rot. Bonds22

About (2-amino-5-ethenyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen

(2-amino-5-ethenyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 158564096) has the molecular formula C84H116F10N20O4 and a molecular weight of 1659.97 g/mol. Its IUPAC name is (2-amino-5-ethenyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name(2-amino-5-ethenyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
PubChem CID158564096
Molecular FormulaC84H116F10N20O4
Molecular Weight1659.97 g/mol
Exact Mass1658.93
IUPAC Name(2-amino-5-ethenyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
SMILESC=C(F)c1ccc(N2CCN[C@@H](C)C2)nc1C(=O)c1cccnc1N.C=Cc1cnc(N)c(C(=O)c2nc(N3CCN[C@@H](CC(C)C)C3)ccc2C(F)(F)F)c1.CC[C@@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)C[C@H](CC(C)C)N1.CCc1cnc(N)c(C(=O)c2nc(N3CCN[C@@H](CC(C)C)C3)ccc2C(F)(F)F)c1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C22H28F3N5O.C22H26F3N5O.C22H28F3N5O.C18H20FN5O.7H2/c2*1-4-14-10-16(21(26)28-11-14)20(31)19-17(22(23,24)25)5-6-18(29-19)30-8-7-27-15(12-30)9-13(2)3;1-4-14-11-30(12-15(28-14)10-13(2)3)18-8-7-17(22(23,24)25)19(29-18)20(31)16-6-5-9-27-21(16)26;1-11-10-24(9-8-21-11)15-6-5-13(12(2)19)16(23-15)17(25)14-4-3-7-22-18(14)20;;;;;;;/h5-6,10-11,13,15,27H,4,7-9,12H2,1-3H3,(H2,26,28);4-6,10-11,13,15,27H,1,7-9,12H2,2-3H3,(H2,26,28);5-9,13-15,28H,4,10-12H2,1-3H3,(H2,26,27);3-7,11,21H,2,8-10H2,1H3,(H2,20,22);7*1H/t2*15-;14-,15+;11-;;;;;;;/m0010......./s1
InChIKeyHRGHPRYCGGUWFQ-PZDJHUBZSA-N
XLogP15.13
TPSA336.56 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001659.97
LogP ≤ 515.13
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze (2-amino-5-ethenyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen with MolForge

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Launch Full Analysis

Related Compounds

NX-5948
CID 156464216
(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

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-ethenyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?
The IUPAC name of (2-amino-5-ethenyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen (CID 158564096) is (2-amino-5-ethenyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen.
What is the SMILES notation for (2-amino-5-ethenyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?
The canonical SMILES for (2-amino-5-ethenyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen is C=C(F)c1ccc(N2CCN[C@@H](C)C2)nc1C(=O)c1cccnc1N.C=Cc1cnc(N)c(C(=O)c2nc(N3CCN[C@@H](CC(C)C)C3)ccc2C(F)(F)F)c1.CC[C@@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)C[C@H](CC(C)C)N1.CCc1cnc(N)c(C(=O)c2nc(N3CCN[C@@H](CC(C)C)C3)ccc2C(F)(F)F)c1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of (2-amino-5-ethenyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?
The InChIKey is HRGHPRYCGGUWFQ-PZDJHUBZSA-N. The full InChI is InChI=1S/C22H28F3N5O.C22H26F3N5O.C22H28F3N5O.C18H20FN5O.7H2/c2*1-4-14-10-16(21(26)28-11-14)20(31)19-17(22(23,24)25)5-6-18(29-19)30-8-7-27-15(12-30)9-13(2)3;1-4-14-11-30(12-15(28-14)10-13(2)3)18-8-7-17(22(23,24)25)19(29-18)20(31)16-6-5-9-27-21(16)26;1-11-10-24(9-8-21-11)15-6-5-13(12(2)19)16(23-15)17(25)14-4-3-7-22-18(14)20;;;;;;;/h5-6,10-11,13,15,27H,4,7-9,12H2,1-3H3,(H2,26,28);4-6,10-11,13,15,27H,1,7-9,12H2,2-3H3,(H2,26,28);5-9,13-15,28H,4,10-12H2,1-3H3,(H2,26,27);3-7,11,21H,2,8-10H2,1H3,(H2,20,22);7*1H/t2*15-;14-,15+;11-;;;;;;;/m0010......./s1.
What are the key properties of (2-amino-5-ethenyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?
(2-amino-5-ethenyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 1659.97 g/mol, XLogP of 15.13, 22 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-ethenyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethyl-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3R,5S)-3-ethyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 158564096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).