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

C54H64BrF12N15O3 — CID 159770323

IUPAC(2-amino-5-bromo-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
SMILESCC(C)C[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cc(Br)cnc3N)n2)CCN1.C[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.Nc1ncccc1C(=O)c1nc(N2CCNC(C(F)(F)F)C2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C20H23BrF3N5O.C17H15F6N5O.C17H18F3N5O.4H2/c1-11(2)7-13-10-29(6-5-26-13)16-4-3-15(20(22,23)24)17(28-16)18(30)14-8-12(21)9-27-19(14)25;18-16(19,20)10-3-4-12(28-7-6-25-11(8-28)17(21,22)23)27-13(10)14(29)9-2-1-5-26-15(9)24;1-10-9-25(8-7-22-10)13-5-4-12(17(18,19)20)14(24-13)15(26)11-3-2-6-23-16(11)21;;;;/h3-4,8-9,11,13,26H,5-7,10H2,1-2H3,(H2,25,27);1-5,11,25H,6-8H2,(H2,24,26);2-6,10,22H,7-9H2,1H3,(H2,21,23);4*1H/t13-;;10-;;;;/m0.0..../s1
InChIKeyNGALEQPRJFTZDS-QCDSJIHRSA-N
MW1279.09 g/mol
LogP9.64
Rot. Bonds11

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

(2-amino-5-bromo-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 159770323) has the molecular formula C54H64BrF12N15O3 and a molecular weight of 1279.09 g/mol. Its IUPAC name is (2-amino-5-bromo-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name(2-amino-5-bromo-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
PubChem CID159770323
Molecular FormulaC54H64BrF12N15O3
Molecular Weight1279.09 g/mol
Exact Mass1277.43
IUPAC Name(2-amino-5-bromo-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
SMILESCC(C)C[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cc(Br)cnc3N)n2)CCN1.C[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.Nc1ncccc1C(=O)c1nc(N2CCNC(C(F)(F)F)C2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C20H23BrF3N5O.C17H15F6N5O.C17H18F3N5O.4H2/c1-11(2)7-13-10-29(6-5-26-13)16-4-3-15(20(22,23)24)17(28-16)18(30)14-8-12(21)9-27-19(14)25;18-16(19,20)10-3-4-12(28-7-6-25-11(8-28)17(21,22)23)27-13(10)14(29)9-2-1-5-26-15(9)24;1-10-9-25(8-7-22-10)13-5-4-12(17(18,19)20)14(24-13)15(26)11-3-2-6-23-16(11)21;;;;/h3-4,8-9,11,13,26H,5-7,10H2,1-2H3,(H2,25,27);1-5,11,25H,6-8H2,(H2,24,26);2-6,10,22H,7-9H2,1H3,(H2,21,23);4*1H/t13-;;10-;;;;/m0.0..../s1
InChIKeyNGALEQPRJFTZDS-QCDSJIHRSA-N
XLogP9.64
TPSA252.42 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms85
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001279.09
LogP ≤ 59.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze (2-amino-5-bromo-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-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
(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)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?
The IUPAC name of (2-amino-5-bromo-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen (CID 159770323) is (2-amino-5-bromo-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen.
What is the SMILES notation for (2-amino-5-bromo-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?
The canonical SMILES for (2-amino-5-bromo-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen is CC(C)C[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cc(Br)cnc3N)n2)CCN1.C[C@H]1CN(c2ccc(C(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1.Nc1ncccc1C(=O)c1nc(N2CCNC(C(F)(F)F)C2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of (2-amino-5-bromo-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?
The InChIKey is NGALEQPRJFTZDS-QCDSJIHRSA-N. The full InChI is InChI=1S/C20H23BrF3N5O.C17H15F6N5O.C17H18F3N5O.4H2/c1-11(2)7-13-10-29(6-5-26-13)16-4-3-15(20(22,23)24)17(28-16)18(30)14-8-12(21)9-27-19(14)25;18-16(19,20)10-3-4-12(28-7-6-25-11(8-28)17(21,22)23)27-13(10)14(29)9-2-1-5-26-15(9)24;1-10-9-25(8-7-22-10)13-5-4-12(17(18,19)20)14(24-13)15(26)11-3-2-6-23-16(11)21;;;;/h3-4,8-9,11,13,26H,5-7,10H2,1-2H3,(H2,25,27);1-5,11,25H,6-8H2,(H2,24,26);2-6,10,22H,7-9H2,1H3,(H2,21,23);4*1H/t13-;;10-;;;;/m0.0..../s1.
What are the key properties of (2-amino-5-bromo-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?
(2-amino-5-bromo-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 1279.09 g/mol, XLogP of 9.64, 11 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)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-methylpiperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 159770323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).