(2-amino-3-pyridinyl)-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]methanone;molecular hydrogen

C58H73F6N15O5 — CID 159555797

About (2-amino-3-pyridinyl)-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]methanone;molecular hydrogen

(2-amino-3-pyridinyl)-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 159555797) has the molecular formula C58H73F6N15O5 and a molecular weight of 1174.31 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: (2-amino-3-pyridinyl)-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]methanone;molecular hydrogen
• PubChem CID: 159555797
• Molecular Formula: C58H73F6N15O5
• Molecular Weight: 1174.31 g/mol
• Exact Mass: 1173.58
• IUPAC Name: (2-amino-3-pyridinyl)-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]methanone;molecular hydrogen
• SMILES: CC(C)C[C@H]1CN(c2ccc(-c3cnn(C)c3)c(C(=O)c3cccnc3N)n2)CCN1.Nc1ncccc1C(=O)c1nc(NCCCO)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(NC[C@@H](O)c2ccccc2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C23H29N7O.C20H17F3N4O2.C15H15F3N4O2.6H2/c1-15(2)11-17-14-30(10-9-25-17)20-7-6-18(16-12-27-29(3)13-16)21(28-20)22(31)19-5-4-8-26-23(19)24;21-20(22,23)14-8-9-16(26-11-15(28)12-5-2-1-3-6-12)27-17(14)18(29)13-7-4-10-25-19(13)24;16-15(17,18)10-4-5-11(20-7-2-8-23)22-12(10)13(24)9-3-1-6-21-14(9)19;;;;;;/h4-8,12-13,15,17,25H,9-11,14H2,1-3H3,(H2,24,26);1-10,15,28H,11H2,(H2,24,25)(H,26,27);1,3-6,23H,2,7-8H2,(H2,19,21)(H,20,22);6*1H/t17-;15-;;;;;;;/m01......./s1
• InChIKey: MFYWQCNOIMPSEX-YFEASVLASA-N
• XLogP: 9.55
• TPSA: 304.22 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1174.31
LogP ≤ 5	9.55
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]methanone;molecular hydrogen?

The IUPAC name of (2-amino-3-pyridinyl)-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]methanone;molecular hydrogen (CID 159555797) is (2-amino-3-pyridinyl)-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]methanone;molecular hydrogen.

What is the SMILES notation for (2-amino-3-pyridinyl)-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]methanone;molecular hydrogen?

The canonical SMILES for (2-amino-3-pyridinyl)-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]methanone;molecular hydrogen is CC(C)C[C@H]1CN(c2ccc(-c3cnn(C)c3)c(C(=O)c3cccnc3N)n2)CCN1.Nc1ncccc1C(=O)c1nc(NCCCO)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(NC[C@@H](O)c2ccccc2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of (2-amino-3-pyridinyl)-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]methanone;molecular hydrogen?

The InChIKey is MFYWQCNOIMPSEX-YFEASVLASA-N. The full InChI is InChI=1S/C23H29N7O.C20H17F3N4O2.C15H15F3N4O2.6H2/c1-15(2)11-17-14-30(10-9-25-17)20-7-6-18(16-12-27-29(3)13-16)21(28-20)22(31)19-5-4-8-26-23(19)24;21-20(22,23)14-8-9-16(26-11-15(28)12-5-2-1-3-6-12)27-17(14)18(29)13-7-4-10-25-19(13)24;16-15(17,18)10-4-5-11(20-7-2-8-23)22-12(10)13(24)9-3-1-6-21-14(9)19;;;;;;/h4-8,12-13,15,17,25H,9-11,14H2,1-3H3,(H2,24,26);1-10,15,28H,11H2,(H2,24,25)(H,26,27);1,3-6,23H,2,7-8H2,(H2,19,21)(H,20,22);6*1H/t17-;15-;;;;;;;/m01......./s1.

What are the key properties of (2-amino-3-pyridinyl)-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]methanone;molecular hydrogen?

(2-amino-3-pyridinyl)-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 1174.31 g/mol, XLogP of 9.55, 18 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-3-pyridinyl)-[6-[[(2S)-2-hydroxy-2-phenylethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-hydroxypropylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 159555797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).