[(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-2-methyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

C60H62ClF4N19O3 — CID 162156637

IUPAC[(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-2-methyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESC[C@H]1[C@H](Nc2ccc(C(F)(F)F)nn2)CCCN1C(=O)c1ccccc1-n1nccn1.C[C@H]1[C@H](Nc2ccc(Cl)cn2)CCCN1C(=O)c1ccccc1-n1nccn1.C[C@H]1[C@H](Nc2ccc(F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C20H21ClN6O.C20H20F3N7O.C20H21FN6O/c1-14-17(25-19-9-8-15(21)13-22-19)6-4-12-26(14)20(28)16-5-2-3-7-18(16)27-23-10-11-24-27;1-13-15(26-18-9-8-17(27-28-18)20(21,22)23)6-4-12-29(13)19(31)14-5-2-3-7-16(14)30-24-10-11-25-30;1-14-17(25-19-9-8-15(21)13-22-19)6-4-12-26(14)20(28)16-5-2-3-7-18(16)27-23-10-11-24-27/h2-3,5,7-11,13-14,17H,4,6,12H2,1H3,(H,22,25);2-3,5,7-11,13,15H,4,6,12H2,1H3,(H,26,28);2-3,5,7-11,13-14,17H,4,6,12H2,1H3,(H,22,25)/t14-,17+;13-,15+;14-,17+/m000/s1
InChIKeyZLXLCUKKOTWCDN-WREHBQFASA-N
MW1208.73 g/mol
LogP9.51
Rot. Bonds12

About [(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-2-methyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

[(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-2-methyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 162156637) has the molecular formula C60H62ClF4N19O3 and a molecular weight of 1208.73 g/mol. Its IUPAC name is [(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-2-methyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-2-methyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID162156637
Molecular FormulaC60H62ClF4N19O3
Molecular Weight1208.73 g/mol
Exact Mass1207.49
IUPAC Name[(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-2-methyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESC[C@H]1[C@H](Nc2ccc(C(F)(F)F)nn2)CCCN1C(=O)c1ccccc1-n1nccn1.C[C@H]1[C@H](Nc2ccc(Cl)cn2)CCCN1C(=O)c1ccccc1-n1nccn1.C[C@H]1[C@H](Nc2ccc(F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C20H21ClN6O.C20H20F3N7O.C20H21FN6O/c1-14-17(25-19-9-8-15(21)13-22-19)6-4-12-26(14)20(28)16-5-2-3-7-18(16)27-23-10-11-24-27;1-13-15(26-18-9-8-17(27-28-18)20(21,22)23)6-4-12-29(13)19(31)14-5-2-3-7-16(14)30-24-10-11-25-30;1-14-17(25-19-9-8-15(21)13-22-19)6-4-12-26(14)20(28)16-5-2-3-7-18(16)27-23-10-11-24-27/h2-3,5,7-11,13-14,17H,4,6,12H2,1H3,(H,22,25);2-3,5,7-11,13,15H,4,6,12H2,1H3,(H,26,28);2-3,5,7-11,13-14,17H,4,6,12H2,1H3,(H,22,25)/t14-,17+;13-,15+;14-,17+/m000/s1
InChIKeyZLXLCUKKOTWCDN-WREHBQFASA-N
XLogP9.51
TPSA240.71 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001208.73
LogP ≤ 59.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze [(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-2-methyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone with MolForge

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Related Compounds

[2-[(5-Chloro-2-pyridinyl)amino]-7-azabicyclo[2.2.1]heptan-7-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 90412351
2-amino-N-[4-[3-chloro-5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199329
((1S,2R,4R)-2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-7-azabicyclo[2.2.1]heptan-7-yl)(3-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone
CID 118882333
((2S,3R)-2-(((5-Chloropyridin-2-yl)amino)methyl)-3-methylpiperidin-1-yl)(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone
CID 117727620
((2S,3R)-2-(((5-Chloropyridin-2-yl)amino)methyl)-3-methylpiperidin-1-yl)(2-fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl)methanone
CID 117727781
((2S,3R)-2-(((5-Chloropyridin-2-yl)amino)methyl)-3-methylpiperidin-1-yl)(3-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone
CID 117727784
US10457669, Example 1028
CID 137478504
((2S,3R)-2-(((5-Chloropyridin-2-yl)amino)methyl)-3-methylpiperidin-1-yl)(4,5-difluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone
CID 117727943
US20240368194, Example 47
CID 172494624
N-[2-[(1-benzylpyrrolidin-3-yl)carbamoyl]-4-chloro-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-[[5-(1,1,2,2,2-pentafluoroethyl)tetrazol-2-yl]methyl]pyrazole-5-carboxamide
CID 58047751
2-(3-chloropyridin-2-yl)-N-[4-fluoro-2-methyl-6-(propan-2-ylcarbamoyl)phenyl]-5-[[4-(trifluoromethyl)triazol-2-yl]methyl]pyrazole-3-carboxamide
CID 58507393
2-(3-chloropyridin-2-yl)-N-[4-fluoro-2-methyl-6-(methylcarbamoyl)phenyl]-5-[[4-(trifluoromethyl)triazol-2-yl]methyl]pyrazole-3-carboxamide
CID 89802852

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-2-methyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-2-methyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 162156637) is [(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-2-methyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-2-methyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-2-methyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is C[C@H]1[C@H](Nc2ccc(C(F)(F)F)nn2)CCCN1C(=O)c1ccccc1-n1nccn1.C[C@H]1[C@H](Nc2ccc(Cl)cn2)CCCN1C(=O)c1ccccc1-n1nccn1.C[C@H]1[C@H](Nc2ccc(F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of [(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-2-methyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is ZLXLCUKKOTWCDN-WREHBQFASA-N. The full InChI is InChI=1S/C20H21ClN6O.C20H20F3N7O.C20H21FN6O/c1-14-17(25-19-9-8-15(21)13-22-19)6-4-12-26(14)20(28)16-5-2-3-7-18(16)27-23-10-11-24-27;1-13-15(26-18-9-8-17(27-28-18)20(21,22)23)6-4-12-29(13)19(31)14-5-2-3-7-16(14)30-24-10-11-25-30;1-14-17(25-19-9-8-15(21)13-22-19)6-4-12-26(14)20(28)16-5-2-3-7-18(16)27-23-10-11-24-27/h2-3,5,7-11,13-14,17H,4,6,12H2,1H3,(H,22,25);2-3,5,7-11,13,15H,4,6,12H2,1H3,(H,26,28);2-3,5,7-11,13-14,17H,4,6,12H2,1H3,(H,22,25)/t14-,17+;13-,15+;14-,17+/m000/s1.
What are the key properties of [(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-2-methyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
[(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-2-methyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 1208.73 g/mol, XLogP of 9.51, 12 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-[(5-chloro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;[(2S,3R)-2-methyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 162156637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).