(2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperidin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-(5-methyl-2-piperazin-1-yl-1,3-thiazol-4-yl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone

C73H78F3N19O4S2 — CID 159720077

About (2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperidin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-(5-methyl-2-piperazin-1-yl-1,3-thiazol-4-yl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone

(2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperidin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-(5-methyl-2-piperazin-1-yl-1,3-thiazol-4-yl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 159720077) has the molecular formula C73H78F3N19O4S2 and a molecular weight of 1406.68 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperidin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-(5-methyl-2-piperazin-1-yl-1,3-thiazol-4-yl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

• Compound Name: (2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperidin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-(5-methyl-2-piperazin-1-yl-1,3-thiazol-4-yl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone
• PubChem CID: 159720077
• Molecular Formula: C73H78F3N19O4S2
• Molecular Weight: 1406.68 g/mol
• Exact Mass: 1405.59
• IUPAC Name: (2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperidin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-(5-methyl-2-piperazin-1-yl-1,3-thiazol-4-yl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone
• SMILES: Cc1ccc(N2CCNC(c3ccccc3)C2)nc1C(=O)c1cccnc1N.Cc1sc(N2CCCC(c3ccccc3)C2)nc1C(=O)c1cccnc1N.Cc1sc(N2CCNCC2)nc1C(=O)c1cccnc1N.Nc1ncccc1C(=O)c1nc(N2CCNCC2)ccc1C(F)(F)F
• InChI: InChI=1S/C22H23N5O.C21H22N4OS.C16H16F3N5O.C14H17N5OS/c1-15-9-10-19(26-20(15)21(28)17-8-5-11-25-22(17)23)27-13-12-24-18(14-27)16-6-3-2-4-7-16;1-14-18(19(26)17-10-5-11-23-20(17)22)24-21(27-14)25-12-6-9-16(13-25)15-7-3-2-4-8-15;17-16(18,19)11-3-4-12(24-8-6-21-7-9-24)23-13(11)14(25)10-2-1-5-22-15(10)20;1-9-11(12(20)10-3-2-4-17-13(10)15)18-14(21-9)19-7-5-16-6-8-19/h2-11,18,24H,12-14H2,1H3,(H2,23,25);2-5,7-8,10-11,16H,6,9,12-13H2,1H3,(H2,22,23);1-5,21H,6-9H2,(H2,20,22);2-4,16H,5-8H2,1H3,(H2,15,17)
• InChIKey: MZXPUFHQYLUZTO-UHFFFAOYSA-N
• XLogP: 9.58
• TPSA: 324.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1406.68
LogP ≤ 5	9.58
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperidin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-(5-methyl-2-piperazin-1-yl-1,3-thiazol-4-yl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone?

The IUPAC name of (2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperidin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-(5-methyl-2-piperazin-1-yl-1,3-thiazol-4-yl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone (CID 159720077) is (2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperidin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-(5-methyl-2-piperazin-1-yl-1,3-thiazol-4-yl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone.

What is the SMILES notation for (2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperidin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-(5-methyl-2-piperazin-1-yl-1,3-thiazol-4-yl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone?

The canonical SMILES for (2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperidin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-(5-methyl-2-piperazin-1-yl-1,3-thiazol-4-yl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone is Cc1ccc(N2CCNC(c3ccccc3)C2)nc1C(=O)c1cccnc1N.Cc1sc(N2CCCC(c3ccccc3)C2)nc1C(=O)c1cccnc1N.Cc1sc(N2CCNCC2)nc1C(=O)c1cccnc1N.Nc1ncccc1C(=O)c1nc(N2CCNCC2)ccc1C(F)(F)F.

What is the InChIKey of (2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperidin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-(5-methyl-2-piperazin-1-yl-1,3-thiazol-4-yl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone?

The InChIKey is MZXPUFHQYLUZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O.C21H22N4OS.C16H16F3N5O.C14H17N5OS/c1-15-9-10-19(26-20(15)21(28)17-8-5-11-25-22(17)23)27-13-12-24-18(14-27)16-6-3-2-4-7-16;1-14-18(19(26)17-10-5-11-23-20(17)22)24-21(27-14)25-12-6-9-16(13-25)15-7-3-2-4-8-15;17-16(18,19)11-3-4-12(24-8-6-21-7-9-24)23-13(11)14(25)10-2-1-5-22-15(10)20;1-9-11(12(20)10-3-2-4-17-13(10)15)18-14(21-9)19-7-5-16-6-8-19/h2-11,18,24H,12-14H2,1H3,(H2,23,25);2-5,7-8,10-11,16H,6,9,12-13H2,1H3,(H2,22,23);1-5,21H,6-9H2,(H2,20,22);2-4,16H,5-8H2,1H3,(H2,15,17).

What are the key properties of (2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperidin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-(5-methyl-2-piperazin-1-yl-1,3-thiazol-4-yl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone?

(2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperidin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-(5-methyl-2-piperazin-1-yl-1,3-thiazol-4-yl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 1406.68 g/mol, XLogP of 9.58, 14 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-3-pyridinyl)-[3-methyl-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[5-methyl-2-(3-phenylpiperidin-1-yl)-1,3-thiazol-4-yl]methanone;(2-amino-3-pyridinyl)-(5-methyl-2-piperazin-1-yl-1,3-thiazol-4-yl)methanone;(2-amino-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 159720077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).