3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-2-one;[4-[4-(2-tert-butyl-4-pyridinyl)-6-fluoro-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-6-methyl-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;methane

C83H95Cl3FN9O4 — CID 157444510

IUPAC3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-2-one;[4-[4-(2-tert-butyl-4-pyridinyl)-6-fluoro-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-6-methyl-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;methane
SMILESC.CC1CCN(C(=O)c2ccc(-c3c[nH]c(=O)c(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cc(-c4ccnc(C(C)(C)C)c4)cc(F)n3)c(Cl)c2)CC1.Cc1cc(-c2ccnc(C(C)(C)C)c2)cc(-c2ccc(C(=O)N3CCC(C)CC3)cc2Cl)n1
InChIInChI=1S/C28H32ClN3O.C27H29ClFN3O.C27H30ClN3O2.CH4/c1-18-9-12-32(13-10-18)27(33)21-6-7-23(24(29)15-21)25-16-22(14-19(2)31-25)20-8-11-30-26(17-20)28(3,4)5;1-17-8-11-32(12-9-17)26(33)19-5-6-21(22(28)13-19)23-14-20(16-25(29)31-23)18-7-10-30-24(15-18)27(2,3)4;1-17-8-11-31(12-9-17)26(33)19-5-6-21(23(28)14-19)20-13-22(25(32)30-16-20)18-7-10-29-24(15-18)27(2,3)4;/h6-8,11,14-18H,9-10,12-13H2,1-5H3;5-7,10,13-17H,8-9,11-12H2,1-4H3;5-7,10,13-17H,8-9,11-12H2,1-4H3,(H,30,32);1H4
InChIKeyBSBFGMYPFVJUCU-UHFFFAOYSA-N
MW1408.09 g/mol
LogP20.28
Rot. Bonds9

About 3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-2-one;[4-[4-(2-tert-butyl-4-pyridinyl)-6-fluoro-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-6-methyl-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;methane

3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-2-one;[4-[4-(2-tert-butyl-4-pyridinyl)-6-fluoro-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-6-methyl-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;methane (PubChem CID 157444510) has the molecular formula C83H95Cl3FN9O4 and a molecular weight of 1408.09 g/mol. Its IUPAC name is 3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-2-one;[4-[4-(2-tert-butyl-4-pyridinyl)-6-fluoro-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-6-methyl-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;methane.

Molecular Properties

Compound Name3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-2-one;[4-[4-(2-tert-butyl-4-pyridinyl)-6-fluoro-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-6-methyl-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;methane
PubChem CID157444510
Molecular FormulaC83H95Cl3FN9O4
Molecular Weight1408.09 g/mol
Exact Mass1405.66
IUPAC Name3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-2-one;[4-[4-(2-tert-butyl-4-pyridinyl)-6-fluoro-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-6-methyl-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;methane
SMILESC.CC1CCN(C(=O)c2ccc(-c3c[nH]c(=O)c(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cc(-c4ccnc(C(C)(C)C)c4)cc(F)n3)c(Cl)c2)CC1.Cc1cc(-c2ccnc(C(C)(C)C)c2)cc(-c2ccc(C(=O)N3CCC(C)CC3)cc2Cl)n1
InChIInChI=1S/C28H32ClN3O.C27H29ClFN3O.C27H30ClN3O2.CH4/c1-18-9-12-32(13-10-18)27(33)21-6-7-23(24(29)15-21)25-16-22(14-19(2)31-25)20-8-11-30-26(17-20)28(3,4)5;1-17-8-11-32(12-9-17)26(33)19-5-6-21(22(28)13-19)23-14-20(16-25(29)31-23)18-7-10-30-24(15-18)27(2,3)4;1-17-8-11-31(12-9-17)26(33)19-5-6-21(23(28)14-19)20-13-22(25(32)30-16-20)18-7-10-29-24(15-18)27(2,3)4;/h6-8,11,14-18H,9-10,12-13H2,1-5H3;5-7,10,13-17H,8-9,11-12H2,1-4H3;5-7,10,13-17H,8-9,11-12H2,1-4H3,(H,30,32);1H4
InChIKeyBSBFGMYPFVJUCU-UHFFFAOYSA-N
XLogP20.28
TPSA158.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001408.09
LogP ≤ 520.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-2-one;[4-[4-(2-tert-butyl-4-pyridinyl)-6-fluoro-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-6-methyl-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;methane with MolForge

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Launch Full Analysis

Related Compounds

3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-pyridinyl]methyl]-2-methylbenzamide
CID 23108748
3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-pyridinyl]methyl]-2-methylbenzamide
CID 57430041
N-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-6-(2-chlorophenyl)pyridine-3-carboxamide
CID 57658085
N-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-6-(3-chlorophenyl)pyridine-3-carboxamide
CID 57658108
N-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-6-(2-fluorophenyl)pyridine-3-carboxamide
CID 57658119
N-[[2-chloro-4-(4-fluorophenyl)phenyl]methyl]-6-(4-fluorophenyl)pyridine-3-carboxamide
CID 57658156
N-[5-(4-benzylpiperidine-1-carbonyl)-2-ethylphenyl]-6-chloropyridine-3-carboxamide;N-[5-(4-benzylpiperidine-1-carbonyl)-2-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 87727930
N-[[2-(3-chloro-4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide;N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide
CID 89397374
N-[[2-(3-chloro-4-fluorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-N'-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2,3-dipyridin-2-ylbutanediamide
CID 89397375
1-[4-[5-(2-Tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorobenzoyl]-3,3-difluoropiperidin-4-one
CID 156077413
1-[4-[5-(2-Tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorobenzoyl]-3-fluoropiperidin-4-one
CID 156077416
[4-[5-(2-Tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-(4-fluoropiperidin-1-yl)methanone
CID 156077430

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-2-one;[4-[4-(2-tert-butyl-4-pyridinyl)-6-fluoro-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-6-methyl-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;methane?
The IUPAC name of 3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-2-one;[4-[4-(2-tert-butyl-4-pyridinyl)-6-fluoro-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-6-methyl-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;methane (CID 157444510) is 3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-2-one;[4-[4-(2-tert-butyl-4-pyridinyl)-6-fluoro-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-6-methyl-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;methane.
What is the SMILES notation for 3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-2-one;[4-[4-(2-tert-butyl-4-pyridinyl)-6-fluoro-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-6-methyl-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;methane?
The canonical SMILES for 3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-2-one;[4-[4-(2-tert-butyl-4-pyridinyl)-6-fluoro-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-6-methyl-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;methane is C.CC1CCN(C(=O)c2ccc(-c3c[nH]c(=O)c(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cc(-c4ccnc(C(C)(C)C)c4)cc(F)n3)c(Cl)c2)CC1.Cc1cc(-c2ccnc(C(C)(C)C)c2)cc(-c2ccc(C(=O)N3CCC(C)CC3)cc2Cl)n1.
What is the InChIKey of 3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-2-one;[4-[4-(2-tert-butyl-4-pyridinyl)-6-fluoro-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-6-methyl-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;methane?
The InChIKey is BSBFGMYPFVJUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN3O.C27H29ClFN3O.C27H30ClN3O2.CH4/c1-18-9-12-32(13-10-18)27(33)21-6-7-23(24(29)15-21)25-16-22(14-19(2)31-25)20-8-11-30-26(17-20)28(3,4)5;1-17-8-11-32(12-9-17)26(33)19-5-6-21(22(28)13-19)23-14-20(16-25(29)31-23)18-7-10-30-24(15-18)27(2,3)4;1-17-8-11-31(12-9-17)26(33)19-5-6-21(23(28)14-19)20-13-22(25(32)30-16-20)18-7-10-29-24(15-18)27(2,3)4;/h6-8,11,14-18H,9-10,12-13H2,1-5H3;5-7,10,13-17H,8-9,11-12H2,1-4H3;5-7,10,13-17H,8-9,11-12H2,1-4H3,(H,30,32);1H4.
What are the key properties of 3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-2-one;[4-[4-(2-tert-butyl-4-pyridinyl)-6-fluoro-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-6-methyl-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;methane?
3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-2-one;[4-[4-(2-tert-butyl-4-pyridinyl)-6-fluoro-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-6-methyl-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;methane has a molecular weight of 1408.09 g/mol, XLogP of 20.28, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-2-one;[4-[4-(2-tert-butyl-4-pyridinyl)-6-fluoro-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)-6-methyl-2-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;methane is sourced from PubChem (CID 157444510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).