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

C79H74Br2F12N18O4 — CID 158115652

IUPAC(2-amino-5-bromo-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(5-bromo-2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCc1ncc(Br)cc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1C(F)(F)F.Cc1ncccc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1C(F)(F)F.Nc1ncc(Br)cc1C(=O)c1nc(N2CCNCC2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(N2CCCNCC2)ccc1C(F)(F)F
InChIInChI=1S/C23H20BrF3N4O.C23H21F3N4O.C17H18F3N5O.C16H15BrF3N5O/c1-14-17(11-16(24)12-29-14)22(32)21-18(23(25,26)27)7-8-20(30-21)31-10-9-28-19(13-31)15-5-3-2-4-6-15;1-15-17(8-5-11-27-15)22(31)21-18(23(24,25)26)9-10-20(29-21)30-13-12-28-19(14-30)16-6-3-2-4-7-16;18-17(19,20)12-4-5-13(25-9-2-6-22-8-10-25)24-14(12)15(26)11-3-1-7-23-16(11)21;17-9-7-10(15(21)23-8-9)14(26)13-11(16(18,19)20)1-2-12(24-13)25-5-3-22-4-6-25/h2-8,11-12,19,28H,9-10,13H2,1H3;2-11,19,28H,12-14H2,1H3;1,3-5,7,22H,2,6,8-10H2,(H2,21,23);1-2,7-8,22H,3-6H2,(H2,21,23)
InChIKeyFQYWRWGOMJYOIM-UHFFFAOYSA-N
MW1727.37 g/mol
LogP13.72
Rot. Bonds14

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

(2-amino-5-bromo-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(5-bromo-2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 158115652) has the molecular formula C79H74Br2F12N18O4 and a molecular weight of 1727.37 g/mol. Its IUPAC name is (2-amino-5-bromo-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(5-bromo-2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-amino-5-bromo-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(5-bromo-2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID158115652
Molecular FormulaC79H74Br2F12N18O4
Molecular Weight1727.37 g/mol
Exact Mass1724.43
IUPAC Name(2-amino-5-bromo-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(5-bromo-2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESCc1ncc(Br)cc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1C(F)(F)F.Cc1ncccc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1C(F)(F)F.Nc1ncc(Br)cc1C(=O)c1nc(N2CCNCC2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(N2CCCNCC2)ccc1C(F)(F)F
InChIInChI=1S/C23H20BrF3N4O.C23H21F3N4O.C17H18F3N5O.C16H15BrF3N5O/c1-14-17(11-16(24)12-29-14)22(32)21-18(23(25,26)27)7-8-20(30-21)31-10-9-28-19(13-31)15-5-3-2-4-6-15;1-15-17(8-5-11-27-15)22(31)21-18(23(24,25)26)9-10-20(29-21)30-13-12-28-19(14-30)16-6-3-2-4-7-16;18-17(19,20)12-4-5-13(25-9-2-6-22-8-10-25)24-14(12)15(26)11-3-1-7-23-16(11)21;17-9-7-10(15(21)23-8-9)14(26)13-11(16(18,19)20)1-2-12(24-13)25-5-3-22-4-6-25/h2-8,11-12,19,28H,9-10,13H2,1H3;2-11,19,28H,12-14H2,1H3;1,3-5,7,22H,2,6,8-10H2,(H2,21,23);1-2,7-8,22H,3-6H2,(H2,21,23)
InChIKeyFQYWRWGOMJYOIM-UHFFFAOYSA-N
XLogP13.72
TPSA284.52 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds14
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001727.37
LogP ≤ 513.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze (2-amino-5-bromo-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(5-bromo-2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-pyridin-2-ylmethanone
CID 119099029
1-(4-(6-(2-Amino-5-bromonicotinoyl)pyridin-2-yl)-1,4-diazepan-1-yl)-3,3,3-trifluoropropan-1-one
CID 24992834
(2-Aminopyridin-3-yl)-[3-(difluoromethyl)-6-(3-phenylpiperazin-1-yl)pyridin-2-yl]methanone
CID 24994414
(2-Aminopyridin-3-yl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 24994723
(2-Aminopyridin-3-yl)-[3-(1,1-difluoroethyl)-6-(3-phenylpiperazin-1-yl)pyridin-2-yl]methanone
CID 24995039
(2-Amino-5-bromopyridin-3-yl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 24995662
(2-aminopyridin-3-yl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 44814539
(2-aminopyridin-3-yl)-[6-[(3S)-3-phenylpiperazin-1-yl]-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 44814540
(2-aminopyridin-3-yl)-[6-[(3R,5S)-3-phenyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 44814541
(2-aminopyridin-3-yl)-[6-[(3S,5S)-3-phenyl-5-propan-2-ylpiperazin-1-yl]-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 44814542
(2-amino-5-bromopyridin-3-yl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 44815410
(2-Amino-3-pyridinyl)-[3-(1-fluoroethenyl)-6-(3-pyridin-3-ylpiperazin-1-yl)-2-pyridinyl]methanone
CID 44815917

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(5-bromo-2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of (2-amino-5-bromo-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(5-bromo-2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone (CID 158115652) is (2-amino-5-bromo-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(5-bromo-2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (2-amino-5-bromo-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(5-bromo-2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for (2-amino-5-bromo-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(5-bromo-2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone is Cc1ncc(Br)cc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1C(F)(F)F.Cc1ncccc1C(=O)c1nc(N2CCNC(c3ccccc3)C2)ccc1C(F)(F)F.Nc1ncc(Br)cc1C(=O)c1nc(N2CCNCC2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(N2CCCNCC2)ccc1C(F)(F)F.
What is the InChIKey of (2-amino-5-bromo-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(5-bromo-2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is FQYWRWGOMJYOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrF3N4O.C23H21F3N4O.C17H18F3N5O.C16H15BrF3N5O/c1-14-17(11-16(24)12-29-14)22(32)21-18(23(25,26)27)7-8-20(30-21)31-10-9-28-19(13-31)15-5-3-2-4-6-15;1-15-17(8-5-11-27-15)22(31)21-18(23(24,25)26)9-10-20(29-21)30-13-12-28-19(14-30)16-6-3-2-4-7-16;18-17(19,20)12-4-5-13(25-9-2-6-22-8-10-25)24-14(12)15(26)11-3-1-7-23-16(11)21;17-9-7-10(15(21)23-8-9)14(26)13-11(16(18,19)20)1-2-12(24-13)25-5-3-22-4-6-25/h2-8,11-12,19,28H,9-10,13H2,1H3;2-11,19,28H,12-14H2,1H3;1,3-5,7,22H,2,6,8-10H2,(H2,21,23);1-2,7-8,22H,3-6H2,(H2,21,23).
What are the key properties of (2-amino-5-bromo-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(5-bromo-2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone?
(2-amino-5-bromo-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(5-bromo-2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 1727.37 g/mol, XLogP of 13.72, 14 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromo-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(1,4-diazepan-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(5-bromo-2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 158115652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).