(2-amino-3-pyridinyl)-[6-[3-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone

C88H85Cl2F5N20O4 — CID 157302654

IUPAC(2-amino-3-pyridinyl)-[6-[3-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCC(F)(F)c1cccc(C2CN(c3cccc(C(=O)c4cccnc4N)n3)CCN2)c1.Cc1cc(C2CN(c3cccc(C(=O)c4cccnc4N)n3)CCN2)ccc1Cl.Nc1ncccc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1Cl
InChIInChI=1S/C23H23F2N5O.C22H22ClN5O.C22H20F3N5O.C21H20ClN5O/c1-23(24,25)16-6-2-5-15(13-16)19-14-30(12-11-27-19)20-9-3-8-18(29-20)21(31)17-7-4-10-28-22(17)26;1-14-12-15(7-8-17(14)23)19-13-28(11-10-25-19)20-6-2-5-18(27-20)21(29)16-4-3-9-26-22(16)24;23-22(24,25)16-8-9-18(29-19(16)20(31)15-7-4-10-28-21(15)26)30-12-11-27-17(13-30)14-5-2-1-3-6-14;22-16-8-9-18(26-19(16)20(28)15-7-4-10-25-21(15)23)27-12-11-24-17(13-27)14-5-2-1-3-6-14/h2-10,13,19,27H,11-12,14H2,1H3,(H2,26,28);2-9,12,19,25H,10-11,13H2,1H3,(H2,24,26);1-10,17,27H,11-13H2,(H2,26,28);1-10,17,24H,11-13H2,(H2,23,25)
InChIKeyBCBWDEWLKSREDA-UHFFFAOYSA-N
MW1652.68 g/mol
LogP13.51
Rot. Bonds17

About (2-amino-3-pyridinyl)-[6-[3-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone

(2-amino-3-pyridinyl)-[6-[3-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 157302654) has the molecular formula C88H85Cl2F5N20O4 and a molecular weight of 1652.68 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[6-[3-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-[6-[3-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID157302654
Molecular FormulaC88H85Cl2F5N20O4
Molecular Weight1652.68 g/mol
Exact Mass1650.64
IUPAC Name(2-amino-3-pyridinyl)-[6-[3-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCC(F)(F)c1cccc(C2CN(c3cccc(C(=O)c4cccnc4N)n3)CCN2)c1.Cc1cc(C2CN(c3cccc(C(=O)c4cccnc4N)n3)CCN2)ccc1Cl.Nc1ncccc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1Cl
InChIInChI=1S/C23H23F2N5O.C22H22ClN5O.C22H20F3N5O.C21H20ClN5O/c1-23(24,25)16-6-2-5-15(13-16)19-14-30(12-11-27-19)20-9-3-8-18(29-20)21(31)17-7-4-10-28-22(17)26;1-14-12-15(7-8-17(14)23)19-13-28(11-10-25-19)20-6-2-5-18(27-20)21(29)16-4-3-9-26-22(16)24;23-22(24,25)16-8-9-18(29-19(16)20(31)15-7-4-10-28-21(15)26)30-12-11-27-17(13-30)14-5-2-1-3-6-14;22-16-8-9-18(26-19(16)20(28)15-7-4-10-25-21(15)23)27-12-11-24-17(13-27)14-5-2-1-3-6-14/h2-10,13,19,27H,11-12,14H2,1H3,(H2,26,28);2-9,12,19,25H,10-11,13H2,1H3,(H2,24,26);1-10,17,27H,11-13H2,(H2,26,28);1-10,17,24H,11-13H2,(H2,23,25)
InChIKeyBCBWDEWLKSREDA-UHFFFAOYSA-N
XLogP13.51
TPSA336.56 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds17
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001652.68
LogP ≤ 513.51
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze (2-amino-3-pyridinyl)-[6-[3-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(2-Amino-3-pyridinyl)-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-2-pyridinyl]methanone
CID 44815087
(2-amino-5-chloropyridin-3-yl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 44815412
(2-amino-5-chloropyridin-3-yl)-[6-[(3S,5S)-3-methyl-5-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 44815414
(2-Amino-5-chloropyridin-3-yl)-[6-piperazin-1-yl-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 44815747
(2-Amino-5-chloropyridin-3-yl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 44815748
(2-Aminopyridin-3-yl)-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 44815749
[6-[3-(3-Chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-2-pyridinyl]-pyridin-3-ylmethanone
CID 67740171
(5-chloro-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone
CID 67740172
[6-[3-(3-Chlorophenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-pyridin-3-ylmethanone
CID 67740207
(5-Chloro-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone
CID 67740242
(2-Amino-5-chloropyridin-3-yl)-[3-(1-fluoroethenyl)-6-[3-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-yl]methanone
CID 68189563
(2-amino-5-chloro-3-pyridinyl)-[6-[(3S)-3-(3-methylbutyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone
CID 155103998

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-[6-[3-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of (2-amino-3-pyridinyl)-[6-[3-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone (CID 157302654) is (2-amino-3-pyridinyl)-[6-[3-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (2-amino-3-pyridinyl)-[6-[3-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for (2-amino-3-pyridinyl)-[6-[3-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone is CC(F)(F)c1cccc(C2CN(c3cccc(C(=O)c4cccnc4N)n3)CCN2)c1.Cc1cc(C2CN(c3cccc(C(=O)c4cccnc4N)n3)CCN2)ccc1Cl.Nc1ncccc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1Cl.
What is the InChIKey of (2-amino-3-pyridinyl)-[6-[3-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is BCBWDEWLKSREDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O.C22H22ClN5O.C22H20F3N5O.C21H20ClN5O/c1-23(24,25)16-6-2-5-15(13-16)19-14-30(12-11-27-19)20-9-3-8-18(29-20)21(31)17-7-4-10-28-22(17)26;1-14-12-15(7-8-17(14)23)19-13-28(11-10-25-19)20-6-2-5-18(27-20)21(29)16-4-3-9-26-22(16)24;23-22(24,25)16-8-9-18(29-19(16)20(31)15-7-4-10-28-21(15)26)30-12-11-27-17(13-30)14-5-2-1-3-6-14;22-16-8-9-18(26-19(16)20(28)15-7-4-10-25-21(15)23)27-12-11-24-17(13-27)14-5-2-1-3-6-14/h2-10,13,19,27H,11-12,14H2,1H3,(H2,26,28);2-9,12,19,25H,10-11,13H2,1H3,(H2,24,26);1-10,17,27H,11-13H2,(H2,26,28);1-10,17,24H,11-13H2,(H2,23,25).
What are the key properties of (2-amino-3-pyridinyl)-[6-[3-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone?
(2-amino-3-pyridinyl)-[6-[3-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 1652.68 g/mol, XLogP of 13.51, 17 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-[6-[3-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-chloro-6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-[3-(1,1-difluoroethyl)phenyl]piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 157302654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).