(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;molecular hydrogen

C66H96F9N15O3 — CID 157150151

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;molecular hydrogen
SMILESC=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.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;;;;;;;/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);7*1H/t2*15-;14-,15+;;;;;;;/m001......./s1
InChIKeyALDWRKYSZKRUOD-DTALYESSSA-N
MW1318.58 g/mol
LogP13.10
Rot. Bonds18

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;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;molecular hydrogen (PubChem CID 157150151) has the molecular formula C66H96F9N15O3 and a molecular weight of 1318.58 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;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;molecular hydrogen
PubChem CID157150151
Molecular FormulaC66H96F9N15O3
Molecular Weight1318.58 g/mol
Exact Mass1317.77
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;molecular hydrogen
SMILESC=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.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;;;;;;;/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);7*1H/t2*15-;14-,15+;;;;;;;/m001......./s1
InChIKeyALDWRKYSZKRUOD-DTALYESSSA-N
XLogP13.10
TPSA252.42 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001318.58
LogP ≤ 513.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

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;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)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 24995663
(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

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;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;molecular hydrogen (CID 157150151) 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;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;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;molecular hydrogen is 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;molecular hydrogen?
The InChIKey is ALDWRKYSZKRUOD-DTALYESSSA-N. The full InChI is InChI=1S/C22H28F3N5O.C22H26F3N5O.C22H28F3N5O.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;;;;;;;/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);7*1H/t2*15-;14-,15+;;;;;;;/m001......./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;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;molecular hydrogen has a molecular weight of 1318.58 g/mol, XLogP of 13.10, 18 rotatable bonds, 6 hydrogen bond donors, and 18 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;molecular hydrogen is sourced from PubChem (CID 157150151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).