2-chloro-4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(piperidin-4-ylmethyl)benzamide;1-(4-fluorophenyl)-5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-phenylpyrimidine-5-carboxamide

C84H77Cl2FN26O7S — CID 157315603

IUPAC2-chloro-4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(piperidin-4-ylmethyl)benzamide;1-(4-fluorophenyl)-5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-phenylpyrimidine-5-carboxamide
SMILESCc1nc(NC(=O)c2ccc(CC3CCNCC3)cc2Cl)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2Cl)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2cnc(C)nc2-c2ccccc2)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C)nc(-c2ccccn2)n1
InChIInChI=1S/C22H23ClN6O.C21H21ClN6O4S.C21H17N7O.C20H16FN7O/c1-14-26-20(19-4-2-3-9-25-19)28-22(27-14)29-21(30)17-6-5-16(13-18(17)23)12-15-7-10-24-11-8-15;1-13-24-19(18-4-2-3-9-23-18)26-21(25-13)27-20(30)16-6-5-15(12-17(16)22)33(31,32)28-10-7-14(29)8-11-28;1-13-23-12-16(18(24-13)15-8-4-3-5-9-15)20(29)28-21-26-14(2)25-19(27-21)17-10-6-7-11-22-17;1-12-16(11-23-28(12)15-8-6-14(21)7-9-15)19(29)27-20-25-13(2)24-18(26-20)17-5-3-4-10-22-17/h2-6,9,13,15,24H,7-8,10-12H2,1H3,(H,26,27,28,29,30);2-6,9,12,14,29H,7-8,10-11H2,1H3,(H,24,25,26,27,30);3-12H,1-2H3,(H,25,26,27,28,29);3-11H,1-2H3,(H,24,25,26,27,29)
InChIKeyBDOASWJSKCWHGO-UHFFFAOYSA-N
MW1684.69 g/mol
LogP12.37
Rot. Bonds18

About 2-chloro-4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(piperidin-4-ylmethyl)benzamide;1-(4-fluorophenyl)-5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-phenylpyrimidine-5-carboxamide

2-chloro-4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(piperidin-4-ylmethyl)benzamide;1-(4-fluorophenyl)-5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-phenylpyrimidine-5-carboxamide (PubChem CID 157315603) has the molecular formula C84H77Cl2FN26O7S and a molecular weight of 1684.69 g/mol. Its IUPAC name is 2-chloro-4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(piperidin-4-ylmethyl)benzamide;1-(4-fluorophenyl)-5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-chloro-4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(piperidin-4-ylmethyl)benzamide;1-(4-fluorophenyl)-5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-phenylpyrimidine-5-carboxamide
PubChem CID157315603
Molecular FormulaC84H77Cl2FN26O7S
Molecular Weight1684.69 g/mol
Exact Mass1682.56
IUPAC Name2-chloro-4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(piperidin-4-ylmethyl)benzamide;1-(4-fluorophenyl)-5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-phenylpyrimidine-5-carboxamide
SMILESCc1nc(NC(=O)c2ccc(CC3CCNCC3)cc2Cl)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2Cl)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2cnc(C)nc2-c2ccccc2)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C)nc(-c2ccccn2)n1
InChIInChI=1S/C22H23ClN6O.C21H21ClN6O4S.C21H17N7O.C20H16FN7O/c1-14-26-20(19-4-2-3-9-25-19)28-22(27-14)29-21(30)17-6-5-16(13-18(17)23)12-15-7-10-24-11-8-15;1-13-24-19(18-4-2-3-9-23-18)26-21(25-13)27-20(30)16-6-5-15(12-17(16)22)33(31,32)28-10-7-14(29)8-11-28;1-13-23-12-16(18(24-13)15-8-4-3-5-9-15)20(29)28-21-26-14(2)25-19(27-21)17-10-6-7-11-22-17;1-12-16(11-23-28(12)15-8-6-14(21)7-9-15)19(29)27-20-25-13(2)24-18(26-20)17-5-3-4-10-22-17/h2-6,9,13,15,24H,7-8,10-12H2,1H3,(H,26,27,28,29,30);2-6,9,12,14,29H,7-8,10-11H2,1H3,(H,24,25,26,27,30);3-12H,1-2H3,(H,25,26,27,28,29);3-11H,1-2H3,(H,24,25,26,27,29)
InChIKeyBDOASWJSKCWHGO-UHFFFAOYSA-N
XLogP12.37
TPSA435.88 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds18
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001684.69
LogP ≤ 512.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze 2-chloro-4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(piperidin-4-ylmethyl)benzamide;1-(4-fluorophenyl)-5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-phenylpyrimidine-5-carboxamide with MolForge

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Related Compounds

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2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;2-chloro-N-(4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-methylsulfonylbenzamide;4-cyano-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethyl)benzamide
CID 160704480
6-(4-acetylpiperazin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide;6-(4-hydroxypiperidin-1-yl)-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyridine-3-carboxamide
CID 158142882
1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
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4-[(dimethylamino)methyl]-2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
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1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
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[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
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[4-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-2-methylpyrimidin-5-yl]-pyrrolidin-1-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(piperidin-4-ylmethyl)benzamide;1-(4-fluorophenyl)-5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-chloro-4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(piperidin-4-ylmethyl)benzamide;1-(4-fluorophenyl)-5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-phenylpyrimidine-5-carboxamide (CID 157315603) is 2-chloro-4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(piperidin-4-ylmethyl)benzamide;1-(4-fluorophenyl)-5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-chloro-4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(piperidin-4-ylmethyl)benzamide;1-(4-fluorophenyl)-5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-chloro-4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(piperidin-4-ylmethyl)benzamide;1-(4-fluorophenyl)-5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-phenylpyrimidine-5-carboxamide is Cc1nc(NC(=O)c2ccc(CC3CCNCC3)cc2Cl)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2Cl)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2cnc(C)nc2-c2ccccc2)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C)nc(-c2ccccn2)n1.
What is the InChIKey of 2-chloro-4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(piperidin-4-ylmethyl)benzamide;1-(4-fluorophenyl)-5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-phenylpyrimidine-5-carboxamide?
The InChIKey is BDOASWJSKCWHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O.C21H21ClN6O4S.C21H17N7O.C20H16FN7O/c1-14-26-20(19-4-2-3-9-25-19)28-22(27-14)29-21(30)17-6-5-16(13-18(17)23)12-15-7-10-24-11-8-15;1-13-24-19(18-4-2-3-9-23-18)26-21(25-13)27-20(30)16-6-5-15(12-17(16)22)33(31,32)28-10-7-14(29)8-11-28;1-13-23-12-16(18(24-13)15-8-4-3-5-9-15)20(29)28-21-26-14(2)25-19(27-21)17-10-6-7-11-22-17;1-12-16(11-23-28(12)15-8-6-14(21)7-9-15)19(29)27-20-25-13(2)24-18(26-20)17-5-3-4-10-22-17/h2-6,9,13,15,24H,7-8,10-12H2,1H3,(H,26,27,28,29,30);2-6,9,12,14,29H,7-8,10-11H2,1H3,(H,24,25,26,27,30);3-12H,1-2H3,(H,25,26,27,28,29);3-11H,1-2H3,(H,24,25,26,27,29).
What are the key properties of 2-chloro-4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(piperidin-4-ylmethyl)benzamide;1-(4-fluorophenyl)-5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-phenylpyrimidine-5-carboxamide?
2-chloro-4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(piperidin-4-ylmethyl)benzamide;1-(4-fluorophenyl)-5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-phenylpyrimidine-5-carboxamide has a molecular weight of 1684.69 g/mol, XLogP of 12.37, 18 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;2-chloro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(piperidin-4-ylmethyl)benzamide;1-(4-fluorophenyl)-5-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide;2-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 157315603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).