(2-amino-5-bromo-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone

C109H106Br2Cl3F6N25O5 — CID 161191521

IUPAC(2-amino-5-bromo-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone
SMILESC=Cc1cnc(N)c(C(=O)c2nc(N3CCNC(c4ccccc4)C3)ccc2C(F)(F)F)c1.C=Cc1cnc(N)c(C(=O)c2nc(N3CCNC(c4ccccc4)C3)ccc2Cl)c1.CC(C)C[C@H]1CN(c2ccc(Cl)c(C(=O)c3cccnc3N)n2)CCN1.Nc1ncc(Br)cc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1C(F)(F)F.Nc1ncc(Br)cc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1Cl
InChIInChI=1S/C24H22F3N5O.C23H22ClN5O.C22H19BrF3N5O.C21H19BrClN5O.C19H24ClN5O/c1-2-15-12-17(23(28)30-13-15)22(33)21-18(24(25,26)27)8-9-20(31-21)32-11-10-29-19(14-32)16-6-4-3-5-7-16;1-2-15-12-17(23(25)27-13-15)22(30)21-18(24)8-9-20(28-21)29-11-10-26-19(14-29)16-6-4-3-5-7-16;23-14-10-15(21(27)29-11-14)20(32)19-16(22(24,25)26)6-7-18(30-19)31-9-8-28-17(12-31)13-4-2-1-3-5-13;22-14-10-15(21(24)26-11-14)20(29)19-16(23)6-7-18(27-19)28-9-8-25-17(12-28)13-4-2-1-3-5-13;1-12(2)10-13-11-25(9-8-22-13)16-6-5-15(20)17(24-16)18(26)14-4-3-7-23-19(14)21/h2-9,12-13,19,29H,1,10-11,14H2,(H2,28,30);2-9,12-13,19,26H,1,10-11,14H2,(H2,25,27);1-7,10-11,17,28H,8-9,12H2,(H2,27,29);1-7,10-11,17,25H,8-9,12H2,(H2,24,26);3-7,12-13,22H,8-11H2,1-2H3,(H2,21,23)/t;;;;13-/m....0/s1
InChIKeyUTUAGDVCDBCAEE-GGVKEFNHSA-N
MW2226.37 g/mol
LogP18.69
Rot. Bonds23

About (2-amino-5-bromo-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone

(2-amino-5-bromo-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone (PubChem CID 161191521) has the molecular formula C109H106Br2Cl3F6N25O5 and a molecular weight of 2226.37 g/mol. Its IUPAC name is (2-amino-5-bromo-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-amino-5-bromo-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone
PubChem CID161191521
Molecular FormulaC109H106Br2Cl3F6N25O5
Molecular Weight2226.37 g/mol
Exact Mass2221.61
IUPAC Name(2-amino-5-bromo-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone
SMILESC=Cc1cnc(N)c(C(=O)c2nc(N3CCNC(c4ccccc4)C3)ccc2C(F)(F)F)c1.C=Cc1cnc(N)c(C(=O)c2nc(N3CCNC(c4ccccc4)C3)ccc2Cl)c1.CC(C)C[C@H]1CN(c2ccc(Cl)c(C(=O)c3cccnc3N)n2)CCN1.Nc1ncc(Br)cc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1C(F)(F)F.Nc1ncc(Br)cc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1Cl
InChIInChI=1S/C24H22F3N5O.C23H22ClN5O.C22H19BrF3N5O.C21H19BrClN5O.C19H24ClN5O/c1-2-15-12-17(23(28)30-13-15)22(33)21-18(24(25,26)27)8-9-20(31-21)32-11-10-29-19(14-32)16-6-4-3-5-7-16;1-2-15-12-17(23(25)27-13-15)22(30)21-18(24)8-9-20(28-21)29-11-10-26-19(14-29)16-6-4-3-5-7-16;23-14-10-15(21(27)29-11-14)20(32)19-16(22(24,25)26)6-7-18(30-19)31-9-8-28-17(12-31)13-4-2-1-3-5-13;22-14-10-15(21(24)26-11-14)20(29)19-16(23)6-7-18(27-19)28-9-8-25-17(12-28)13-4-2-1-3-5-13;1-12(2)10-13-11-25(9-8-22-13)16-6-5-15(20)17(24-16)18(26)14-4-3-7-23-19(14)21/h2-9,12-13,19,29H,1,10-11,14H2,(H2,28,30);2-9,12-13,19,26H,1,10-11,14H2,(H2,25,27);1-7,10-11,17,28H,8-9,12H2,(H2,27,29);1-7,10-11,17,25H,8-9,12H2,(H2,24,26);3-7,12-13,22H,8-11H2,1-2H3,(H2,21,23)/t;;;;13-/m....0/s1
InChIKeyUTUAGDVCDBCAEE-GGVKEFNHSA-N
XLogP18.69
TPSA420.70 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds23
Heavy Atoms150
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002226.37
LogP ≤ 518.69
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze (2-amino-5-bromo-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone?
The IUPAC name of (2-amino-5-bromo-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone (CID 161191521) is (2-amino-5-bromo-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone.
What is the SMILES notation for (2-amino-5-bromo-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone?
The canonical SMILES for (2-amino-5-bromo-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone is C=Cc1cnc(N)c(C(=O)c2nc(N3CCNC(c4ccccc4)C3)ccc2C(F)(F)F)c1.C=Cc1cnc(N)c(C(=O)c2nc(N3CCNC(c4ccccc4)C3)ccc2Cl)c1.CC(C)C[C@H]1CN(c2ccc(Cl)c(C(=O)c3cccnc3N)n2)CCN1.Nc1ncc(Br)cc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1C(F)(F)F.Nc1ncc(Br)cc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1Cl.
What is the InChIKey of (2-amino-5-bromo-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone?
The InChIKey is UTUAGDVCDBCAEE-GGVKEFNHSA-N. The full InChI is InChI=1S/C24H22F3N5O.C23H22ClN5O.C22H19BrF3N5O.C21H19BrClN5O.C19H24ClN5O/c1-2-15-12-17(23(28)30-13-15)22(33)21-18(24(25,26)27)8-9-20(31-21)32-11-10-29-19(14-32)16-6-4-3-5-7-16;1-2-15-12-17(23(25)27-13-15)22(30)21-18(24)8-9-20(28-21)29-11-10-26-19(14-29)16-6-4-3-5-7-16;23-14-10-15(21(27)29-11-14)20(32)19-16(22(24,25)26)6-7-18(30-19)31-9-8-28-17(12-31)13-4-2-1-3-5-13;22-14-10-15(21(24)26-11-14)20(29)19-16(23)6-7-18(27-19)28-9-8-25-17(12-28)13-4-2-1-3-5-13;1-12(2)10-13-11-25(9-8-22-13)16-6-5-15(20)17(24-16)18(26)14-4-3-7-23-19(14)21/h2-9,12-13,19,29H,1,10-11,14H2,(H2,28,30);2-9,12-13,19,26H,1,10-11,14H2,(H2,25,27);1-7,10-11,17,28H,8-9,12H2,(H2,27,29);1-7,10-11,17,25H,8-9,12H2,(H2,24,26);3-7,12-13,22H,8-11H2,1-2H3,(H2,21,23)/t;;;;13-/m....0/s1.
What are the key properties of (2-amino-5-bromo-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone?
(2-amino-5-bromo-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone has a molecular weight of 2226.37 g/mol, XLogP of 18.69, 23 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromo-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-bromo-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone is sourced from PubChem (CID 161191521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).