3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-4-one;[4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-5-methylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dichlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone

C138H155Cl5FN15O6 — CID 158738114

IUPAC3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-4-one;[4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-5-methylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dichlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(Cl)c(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3c[nH]cc(-c4ccnc(C(C)(C)C)c4)c3=O)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3F)c(Cl)c2)CC1.Cc1cc(C(=O)N2CCC(C)CC2)cc(C)c1-c1cncc(-c2ccnc(C(C)(C)C)c2)c1.Cc1cc(C(=O)N2CCC(C)CC2)cc(Cl)c1-c1cncc(-c2ccnc(C(C)(C)C)c2)c1
InChIInChI=1S/C29H35N3O.C28H32ClN3O.C27H29Cl2N3O.C27H29ClFN3O.C27H30ClN3O2/c1-19-8-11-32(12-9-19)28(33)23-13-20(2)27(21(3)14-23)25-15-24(17-30-18-25)22-7-10-31-26(16-22)29(4,5)6;1-18-7-10-32(11-8-18)27(33)21-12-19(2)26(24(29)14-21)23-13-22(16-30-17-23)20-6-9-31-25(15-20)28(3,4)5;1-17-6-9-32(10-7-17)26(33)19-12-22(28)25(23(29)13-19)21-11-20(15-30-16-21)18-5-8-31-24(14-18)27(2,3)4;1-17-8-11-32(12-9-17)26(33)19-5-6-20(23(28)13-19)22-16-30-15-21(25(22)29)18-7-10-31-24(14-18)27(2,3)4;1-17-8-11-31(12-9-17)26(33)19-5-6-20(23(28)13-19)22-16-29-15-21(25(22)32)18-7-10-30-24(14-18)27(2,3)4/h7,10,13-19H,8-9,11-12H2,1-6H3;6,9,12-18H,7-8,10-11H2,1-5H3;5,8,11-17H,6-7,9-10H2,1-4H3;5-7,10,13-17H,8-9,11-12H2,1-4H3;5-7,10,13-17H,8-9,11-12H2,1-4H3,(H,29,32)
InChIKeyILYAVODAPKJOAU-UHFFFAOYSA-N
MW2316.12 g/mol
LogP33.53
Rot. Bonds15

About 3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-4-one;[4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-5-methylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dichlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone

3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-4-one;[4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-5-methylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dichlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 158738114) has the molecular formula C138H155Cl5FN15O6 and a molecular weight of 2316.12 g/mol. Its IUPAC name is 3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-4-one;[4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-5-methylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dichlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-4-one;[4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-5-methylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dichlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID158738114
Molecular FormulaC138H155Cl5FN15O6
Molecular Weight2316.12 g/mol
Exact Mass2312.07
IUPAC Name3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-4-one;[4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-5-methylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dichlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(Cl)c(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3c[nH]cc(-c4ccnc(C(C)(C)C)c4)c3=O)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3F)c(Cl)c2)CC1.Cc1cc(C(=O)N2CCC(C)CC2)cc(C)c1-c1cncc(-c2ccnc(C(C)(C)C)c2)c1.Cc1cc(C(=O)N2CCC(C)CC2)cc(Cl)c1-c1cncc(-c2ccnc(C(C)(C)C)c2)c1
InChIInChI=1S/C29H35N3O.C28H32ClN3O.C27H29Cl2N3O.C27H29ClFN3O.C27H30ClN3O2/c1-19-8-11-32(12-9-19)28(33)23-13-20(2)27(21(3)14-23)25-15-24(17-30-18-25)22-7-10-31-26(16-22)29(4,5)6;1-18-7-10-32(11-8-18)27(33)21-12-19(2)26(24(29)14-21)23-13-22(16-30-17-23)20-6-9-31-25(15-20)28(3,4)5;1-17-6-9-32(10-7-17)26(33)19-12-22(28)25(23(29)13-19)21-11-20(15-30-16-21)18-5-8-31-24(14-18)27(2,3)4;1-17-8-11-32(12-9-17)26(33)19-5-6-20(23(28)13-19)22-16-30-15-21(25(22)29)18-7-10-31-24(14-18)27(2,3)4;1-17-8-11-31(12-9-17)26(33)19-5-6-20(23(28)13-19)22-16-29-15-21(25(22)32)18-7-10-30-24(14-18)27(2,3)4/h7,10,13-19H,8-9,11-12H2,1-6H3;6,9,12-18H,7-8,10-11H2,1-5H3;5,8,11-17H,6-7,9-10H2,1-4H3;5-7,10,13-17H,8-9,11-12H2,1-4H3;5-7,10,13-17H,8-9,11-12H2,1-4H3,(H,29,32)
InChIKeyILYAVODAPKJOAU-UHFFFAOYSA-N
XLogP33.53
TPSA250.42 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002316.12
LogP ≤ 533.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

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

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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-4-one;[4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-5-methylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dichlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of 3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-4-one;[4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-5-methylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dichlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone (CID 158738114) is 3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-4-one;[4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-5-methylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dichlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-4-one;[4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-5-methylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dichlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for 3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-4-one;[4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-5-methylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dichlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc(Cl)c(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3c[nH]cc(-c4ccnc(C(C)(C)C)c4)c3=O)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3F)c(Cl)c2)CC1.Cc1cc(C(=O)N2CCC(C)CC2)cc(C)c1-c1cncc(-c2ccnc(C(C)(C)C)c2)c1.Cc1cc(C(=O)N2CCC(C)CC2)cc(Cl)c1-c1cncc(-c2ccnc(C(C)(C)C)c2)c1.
What is the InChIKey of 3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-4-one;[4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-5-methylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dichlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is ILYAVODAPKJOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O.C28H32ClN3O.C27H29Cl2N3O.C27H29ClFN3O.C27H30ClN3O2/c1-19-8-11-32(12-9-19)28(33)23-13-20(2)27(21(3)14-23)25-15-24(17-30-18-25)22-7-10-31-26(16-22)29(4,5)6;1-18-7-10-32(11-8-18)27(33)21-12-19(2)26(24(29)14-21)23-13-22(16-30-17-23)20-6-9-31-25(15-20)28(3,4)5;1-17-6-9-32(10-7-17)26(33)19-12-22(28)25(23(29)13-19)21-11-20(15-30-16-21)18-5-8-31-24(14-18)27(2,3)4;1-17-8-11-32(12-9-17)26(33)19-5-6-20(23(28)13-19)22-16-30-15-21(25(22)29)18-7-10-31-24(14-18)27(2,3)4;1-17-8-11-31(12-9-17)26(33)19-5-6-20(23(28)13-19)22-16-29-15-21(25(22)32)18-7-10-30-24(14-18)27(2,3)4/h7,10,13-19H,8-9,11-12H2,1-6H3;6,9,12-18H,7-8,10-11H2,1-5H3;5,8,11-17H,6-7,9-10H2,1-4H3;5-7,10,13-17H,8-9,11-12H2,1-4H3;5-7,10,13-17H,8-9,11-12H2,1-4H3,(H,29,32).
What are the key properties of 3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-4-one;[4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-5-methylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dichlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone?
3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1H-pyridin-4-one;[4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-5-methylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dichlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 2316.12 g/mol, XLogP of 33.53, 15 rotatable bonds, 1 hydrogen bond donors, and 15 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-4-one;[4-[5-(2-tert-butyl-4-pyridinyl)-4-fluoro-3-pyridinyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-5-methylphenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dichlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3,5-dimethylphenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 158738114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).