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

C68H68BrClF9N17O4 — CID 157412197

IUPAC(2-amino-5-bromo-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-chloro-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESC=Cc1cnc(N)c(C(=O)c2nc(N3CCNCC3)ccc2C(F)(F)F)c1.Nc1ncc(Br)cc1C(=O)c1nc(N2CCCCC2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(N2CCCCC2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(N2CCCCC2)ccc1Cl
InChIInChI=1S/C18H18F3N5O.C17H16BrF3N4O.C17H17F3N4O.C16H17ClN4O/c1-2-11-9-12(17(22)24-10-11)16(27)15-13(18(19,20)21)3-4-14(25-15)26-7-5-23-6-8-26;18-10-8-11(16(22)23-9-10)15(26)14-12(17(19,20)21)4-5-13(24-14)25-6-2-1-3-7-25;18-17(19,20)12-6-7-13(24-9-2-1-3-10-24)23-14(12)15(25)11-5-4-8-22-16(11)21;17-12-6-7-13(21-9-2-1-3-10-21)20-14(12)15(22)11-5-4-8-19-16(11)18/h2-4,9-10,23H,1,5-8H2,(H2,22,24);4-5,8-9H,1-3,6-7H2,(H2,22,23);4-8H,1-3,9-10H2,(H2,21,22);4-8H,1-3,9-10H2,(H2,18,19)
InChIKeyBOKMCGLZTXLTBO-UHFFFAOYSA-N
MW1473.75 g/mol
LogP12.65
Rot. Bonds13

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

(2-amino-5-bromo-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-chloro-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone (PubChem CID 157412197) has the molecular formula C68H68BrClF9N17O4 and a molecular weight of 1473.75 g/mol. Its IUPAC name is (2-amino-5-bromo-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-chloro-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-amino-5-bromo-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-chloro-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone
PubChem CID157412197
Molecular FormulaC68H68BrClF9N17O4
Molecular Weight1473.75 g/mol
Exact Mass1471.44
IUPAC Name(2-amino-5-bromo-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-chloro-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone
SMILESC=Cc1cnc(N)c(C(=O)c2nc(N3CCNCC3)ccc2C(F)(F)F)c1.Nc1ncc(Br)cc1C(=O)c1nc(N2CCCCC2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(N2CCCCC2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(N2CCCCC2)ccc1Cl
InChIInChI=1S/C18H18F3N5O.C17H16BrF3N4O.C17H17F3N4O.C16H17ClN4O/c1-2-11-9-12(17(22)24-10-11)16(27)15-13(18(19,20)21)3-4-14(25-15)26-7-5-23-6-8-26;18-10-8-11(16(22)23-9-10)15(26)14-12(17(19,20)21)4-5-13(24-14)25-6-2-1-3-7-25;18-17(19,20)12-6-7-13(24-9-2-1-3-10-24)23-14(12)15(25)11-5-4-8-22-16(11)21;17-12-6-7-13(21-9-2-1-3-10-21)20-14(12)15(22)11-5-4-8-19-16(11)18/h2-4,9-10,23H,1,5-8H2,(H2,22,24);4-5,8-9H,1-3,6-7H2,(H2,22,23);4-8H,1-3,9-10H2,(H2,21,22);4-8H,1-3,9-10H2,(H2,18,19)
InChIKeyBOKMCGLZTXLTBO-UHFFFAOYSA-N
XLogP12.65
TPSA300.47 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001473.75
LogP ≤ 512.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

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

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Launch Full Analysis

Related Compounds

(2-Amino-5-bromopyridin-3-yl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 24995662
(2-Amino-3-pyridinyl)-[6-[3-(3-chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-2-pyridinyl]methanone
CID 44815087
(2-amino-5-bromopyridin-3-yl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 44815410
(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
(2-Amino-5-bromopyridin-3-yl)-[6-piperazin-1-yl-3-(trifluoromethyl)pyridin-2-yl]methanone
CID 57690854
(5-Bromo-2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone
CID 58207590
(5-Bromo-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]methanone
CID 67739712
[6-[3-(3-Chlorophenyl)piperazin-1-yl]-3-(1-fluoroethenyl)-2-pyridinyl]-pyridin-3-ylmethanone
CID 67740171

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-chloro-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone?
The IUPAC name of (2-amino-5-bromo-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-chloro-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone (CID 157412197) is (2-amino-5-bromo-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-chloro-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (2-amino-5-bromo-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-chloro-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone?
The canonical SMILES for (2-amino-5-bromo-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-chloro-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone is C=Cc1cnc(N)c(C(=O)c2nc(N3CCNCC3)ccc2C(F)(F)F)c1.Nc1ncc(Br)cc1C(=O)c1nc(N2CCCCC2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(N2CCCCC2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(N2CCCCC2)ccc1Cl.
What is the InChIKey of (2-amino-5-bromo-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-chloro-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone?
The InChIKey is BOKMCGLZTXLTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O.C17H16BrF3N4O.C17H17F3N4O.C16H17ClN4O/c1-2-11-9-12(17(22)24-10-11)16(27)15-13(18(19,20)21)3-4-14(25-15)26-7-5-23-6-8-26;18-10-8-11(16(22)23-9-10)15(26)14-12(17(19,20)21)4-5-13(24-14)25-6-2-1-3-7-25;18-17(19,20)12-6-7-13(24-9-2-1-3-10-24)23-14(12)15(25)11-5-4-8-22-16(11)21;17-12-6-7-13(21-9-2-1-3-10-21)20-14(12)15(22)11-5-4-8-19-16(11)18/h2-4,9-10,23H,1,5-8H2,(H2,22,24);4-5,8-9H,1-3,6-7H2,(H2,22,23);4-8H,1-3,9-10H2,(H2,21,22);4-8H,1-3,9-10H2,(H2,18,19).
What are the key properties of (2-amino-5-bromo-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-chloro-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone?
(2-amino-5-bromo-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-chloro-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone has a molecular weight of 1473.75 g/mol, XLogP of 12.65, 13 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromo-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-5-ethenyl-3-pyridinyl)-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-(3-chloro-6-piperidin-1-yl-2-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-piperidin-1-yl-3-(trifluoromethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 157412197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).