(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-(2-methylpropyl)-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen

C62H91F10N15O4 — CID 158696677

IUPAC(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-(2-methylpropyl)-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
SMILESC=C(F)c1ccc(N2CCNC(CC(C)(C)O)C2)nc1C(=O)c1cccnc1N.CCC[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)C[C@H](CC(C)C)N1.Nc1ncccc1C(=O)c1nc(N2CCNC(CC(F)(F)F)C2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H30F3N5O.C21H26FN5O2.C18H17F6N5O.9H2/c1-4-6-15-12-31(13-16(29-15)11-14(2)3)19-9-8-18(23(24,25)26)20(30-19)21(32)17-7-5-10-28-22(17)27;1-13(22)15-6-7-17(27-10-9-24-14(12-27)11-21(2,3)29)26-18(15)19(28)16-5-4-8-25-20(16)23;19-17(20,21)8-10-9-29(7-6-26-10)13-4-3-12(18(22,23)24)14(28-13)15(30)11-2-1-5-27-16(11)25;;;;;;;;;/h5,7-10,14-16,29H,4,6,11-13H2,1-3H3,(H2,27,28);4-8,14,24,29H,1,9-12H2,2-3H3,(H2,23,25);1-5,10,26H,6-9H2,(H2,25,27);9*1H/t15-,16-;;;;;;;;;;;/m0.........../s1
InChIKeyIHALVMYQFHJJSS-KPWWBDGVSA-N
MW1300.49 g/mol
LogP11.72
Rot. Bonds17

About (2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-(2-methylpropyl)-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen

(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-(2-methylpropyl)-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 158696677) has the molecular formula C62H91F10N15O4 and a molecular weight of 1300.49 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-(2-methylpropyl)-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-(2-methylpropyl)-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
PubChem CID158696677
Molecular FormulaC62H91F10N15O4
Molecular Weight1300.49 g/mol
Exact Mass1299.72
IUPAC Name(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-(2-methylpropyl)-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
SMILESC=C(F)c1ccc(N2CCNC(CC(C)(C)O)C2)nc1C(=O)c1cccnc1N.CCC[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)C[C@H](CC(C)C)N1.Nc1ncccc1C(=O)c1nc(N2CCNC(CC(F)(F)F)C2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H30F3N5O.C21H26FN5O2.C18H17F6N5O.9H2/c1-4-6-15-12-31(13-16(29-15)11-14(2)3)19-9-8-18(23(24,25)26)20(30-19)21(32)17-7-5-10-28-22(17)27;1-13(22)15-6-7-17(27-10-9-24-14(12-27)11-21(2,3)29)26-18(15)19(28)16-5-4-8-25-20(16)23;19-17(20,21)8-10-9-29(7-6-26-10)13-4-3-12(18(22,23)24)14(28-13)15(30)11-2-1-5-27-16(11)25;;;;;;;;;/h5,7-10,14-16,29H,4,6,11-13H2,1-3H3,(H2,27,28);4-8,14,24,29H,1,9-12H2,2-3H3,(H2,23,25);1-5,10,26H,6-9H2,(H2,25,27);9*1H/t15-,16-;;;;;;;;;;;/m0.........../s1
InChIKeyIHALVMYQFHJJSS-KPWWBDGVSA-N
XLogP11.72
TPSA272.65 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001300.49
LogP ≤ 511.72
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Analyze (2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-(2-methylpropyl)-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen with MolForge

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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)-[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
(2-amino-3-pyridinyl)-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 58367655

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-(2-methylpropyl)-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The IUPAC name of (2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-(2-methylpropyl)-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen (CID 158696677) is (2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-(2-methylpropyl)-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen.
What is the SMILES notation for (2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-(2-methylpropyl)-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The canonical SMILES for (2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-(2-methylpropyl)-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen is C=C(F)c1ccc(N2CCNC(CC(C)(C)O)C2)nc1C(=O)c1cccnc1N.CCC[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)C[C@H](CC(C)C)N1.Nc1ncccc1C(=O)c1nc(N2CCNC(CC(F)(F)F)C2)ccc1C(F)(F)F.[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-(1-fluoroethenyl)-6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-(2-methylpropyl)-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The InChIKey is IHALVMYQFHJJSS-KPWWBDGVSA-N. The full InChI is InChI=1S/C23H30F3N5O.C21H26FN5O2.C18H17F6N5O.9H2/c1-4-6-15-12-31(13-16(29-15)11-14(2)3)19-9-8-18(23(24,25)26)20(30-19)21(32)17-7-5-10-28-22(17)27;1-13(22)15-6-7-17(27-10-9-24-14(12-27)11-21(2,3)29)26-18(15)19(28)16-5-4-8-25-20(16)23;19-17(20,21)8-10-9-29(7-6-26-10)13-4-3-12(18(22,23)24)14(28-13)15(30)11-2-1-5-27-16(11)25;;;;;;;;;/h5,7-10,14-16,29H,4,6,11-13H2,1-3H3,(H2,27,28);4-8,14,24,29H,1,9-12H2,2-3H3,(H2,23,25);1-5,10,26H,6-9H2,(H2,25,27);9*1H/t15-,16-;;;;;;;;;;;/m0.........../s1.
What are the key properties of (2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-(2-methylpropyl)-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
(2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-(2-methylpropyl)-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 1300.49 g/mol, XLogP of 11.72, 17 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-[3-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S,5S)-3-(2-methylpropyl)-5-propylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 158696677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).