(2-amino-5-bromo-3-pyridinyl)-[6-[(3S,5S)-3-methyl-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;(2-amino-3-pyridinyl)-[6-[(2R)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen

C56H69BrF7N15O3 — CID 157170454

IUPAC(2-amino-5-bromo-3-pyridinyl)-[6-[(3S,5S)-3-methyl-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;(2-amino-3-pyridinyl)-[6-[(2R)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
SMILESC=C(F)c1ccc(N2CCN[C@@H](C)C2)nc1C(=O)c1cccnc1N.CC(C)C[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cc(Br)cnc3N)n2)C[C@H](C)N1.C[C@@H]1CNCCN1c1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.[H][H].[H][H].[H][H]
InChIInChI=1S/C21H25BrF3N5O.C18H20FN5O.C17H18F3N5O.3H2/c1-11(2)6-14-10-30(9-12(3)28-14)17-5-4-16(21(23,24)25)18(29-17)19(31)15-7-13(22)8-27-20(15)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;1-10-9-22-7-8-25(10)13-5-4-12(17(18,19)20)14(24-13)15(26)11-3-2-6-23-16(11)21;;;/h4-5,7-8,11-12,14,28H,6,9-10H2,1-3H3,(H2,26,27);3-7,11,21H,2,8-10H2,1H3,(H2,20,22);2-6,10,22H,7-9H2,1H3,(H2,21,23);3*1H/t12-,14-;11-;10-;;;/m001.../s1
InChIKeyANKDQDQSAMHWSK-IHVLTDDSSA-N
MW1213.16 g/mol
LogP9.16
Rot. Bonds12

About (2-amino-5-bromo-3-pyridinyl)-[6-[(3S,5S)-3-methyl-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;(2-amino-3-pyridinyl)-[6-[(2R)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen

(2-amino-5-bromo-3-pyridinyl)-[6-[(3S,5S)-3-methyl-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;(2-amino-3-pyridinyl)-[6-[(2R)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 157170454) has the molecular formula C56H69BrF7N15O3 and a molecular weight of 1213.16 g/mol. Its IUPAC name is (2-amino-5-bromo-3-pyridinyl)-[6-[(3S,5S)-3-methyl-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;(2-amino-3-pyridinyl)-[6-[(2R)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name(2-amino-5-bromo-3-pyridinyl)-[6-[(3S,5S)-3-methyl-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;(2-amino-3-pyridinyl)-[6-[(2R)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
PubChem CID157170454
Molecular FormulaC56H69BrF7N15O3
Molecular Weight1213.16 g/mol
Exact Mass1211.48
IUPAC Name(2-amino-5-bromo-3-pyridinyl)-[6-[(3S,5S)-3-methyl-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;(2-amino-3-pyridinyl)-[6-[(2R)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
SMILESC=C(F)c1ccc(N2CCN[C@@H](C)C2)nc1C(=O)c1cccnc1N.CC(C)C[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cc(Br)cnc3N)n2)C[C@H](C)N1.C[C@@H]1CNCCN1c1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.[H][H].[H][H].[H][H]
InChIInChI=1S/C21H25BrF3N5O.C18H20FN5O.C17H18F3N5O.3H2/c1-11(2)6-14-10-30(9-12(3)28-14)17-5-4-16(21(23,24)25)18(29-17)19(31)15-7-13(22)8-27-20(15)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;1-10-9-22-7-8-25(10)13-5-4-12(17(18,19)20)14(24-13)15(26)11-3-2-6-23-16(11)21;;;/h4-5,7-8,11-12,14,28H,6,9-10H2,1-3H3,(H2,26,27);3-7,11,21H,2,8-10H2,1H3,(H2,20,22);2-6,10,22H,7-9H2,1H3,(H2,21,23);3*1H/t12-,14-;11-;10-;;;/m001.../s1
InChIKeyANKDQDQSAMHWSK-IHVLTDDSSA-N
XLogP9.16
TPSA252.42 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms82
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001213.16
LogP ≤ 59.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze (2-amino-5-bromo-3-pyridinyl)-[6-[(3S,5S)-3-methyl-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;(2-amino-3-pyridinyl)-[6-[(2R)-2-methylpiperazin-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
(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
(2-amino-3-pyridinyl)-[3-benzyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 57690850

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-3-pyridinyl)-[6-[(3S,5S)-3-methyl-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;(2-amino-3-pyridinyl)-[6-[(2R)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The IUPAC name of (2-amino-5-bromo-3-pyridinyl)-[6-[(3S,5S)-3-methyl-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;(2-amino-3-pyridinyl)-[6-[(2R)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen (CID 157170454) is (2-amino-5-bromo-3-pyridinyl)-[6-[(3S,5S)-3-methyl-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;(2-amino-3-pyridinyl)-[6-[(2R)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen.
What is the SMILES notation for (2-amino-5-bromo-3-pyridinyl)-[6-[(3S,5S)-3-methyl-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;(2-amino-3-pyridinyl)-[6-[(2R)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The canonical SMILES for (2-amino-5-bromo-3-pyridinyl)-[6-[(3S,5S)-3-methyl-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;(2-amino-3-pyridinyl)-[6-[(2R)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen is C=C(F)c1ccc(N2CCN[C@@H](C)C2)nc1C(=O)c1cccnc1N.CC(C)C[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cc(Br)cnc3N)n2)C[C@H](C)N1.C[C@@H]1CNCCN1c1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.[H][H].[H][H].[H][H].
What is the InChIKey of (2-amino-5-bromo-3-pyridinyl)-[6-[(3S,5S)-3-methyl-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;(2-amino-3-pyridinyl)-[6-[(2R)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The InChIKey is ANKDQDQSAMHWSK-IHVLTDDSSA-N. The full InChI is InChI=1S/C21H25BrF3N5O.C18H20FN5O.C17H18F3N5O.3H2/c1-11(2)6-14-10-30(9-12(3)28-14)17-5-4-16(21(23,24)25)18(29-17)19(31)15-7-13(22)8-27-20(15)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;1-10-9-22-7-8-25(10)13-5-4-12(17(18,19)20)14(24-13)15(26)11-3-2-6-23-16(11)21;;;/h4-5,7-8,11-12,14,28H,6,9-10H2,1-3H3,(H2,26,27);3-7,11,21H,2,8-10H2,1H3,(H2,20,22);2-6,10,22H,7-9H2,1H3,(H2,21,23);3*1H/t12-,14-;11-;10-;;;/m001.../s1.
What are the key properties of (2-amino-5-bromo-3-pyridinyl)-[6-[(3S,5S)-3-methyl-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;(2-amino-3-pyridinyl)-[6-[(2R)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
(2-amino-5-bromo-3-pyridinyl)-[6-[(3S,5S)-3-methyl-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;(2-amino-3-pyridinyl)-[6-[(2R)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 1213.16 g/mol, XLogP of 9.16, 12 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromo-3-pyridinyl)-[6-[(3S,5S)-3-methyl-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;(2-amino-3-pyridinyl)-[6-[(2R)-2-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 157170454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).