[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-fluoro-3-methylpiperidin-1-yl)methanone;3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]-N-(propan-2-ylsulfamoyl)aniline;3-(2-chloro-4-methylphenyl)-5-[2-(1-fluoro-2-methylpropan-2-yl)-4-pyridinyl]pyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-1-amine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]propan-2-amine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate

C150H141Cl7F2N20O11S — CID 158809997

About [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-fluoro-3-methylpiperidin-1-yl)methanone;3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]-N-(propan-2-ylsulfamoyl)aniline;3-(2-chloro-4-methylphenyl)-5-[2-(1-fluoro-2-methylpropan-2-yl)-4-pyridinyl]pyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-1-amine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]propan-2-amine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate

[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-fluoro-3-methylpiperidin-1-yl)methanone;3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]-N-(propan-2-ylsulfamoyl)aniline;3-(2-chloro-4-methylphenyl)-5-[2-(1-fluoro-2-methylpropan-2-yl)-4-pyridinyl]pyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-1-amine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]propan-2-amine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate (PubChem CID 158809997) has the molecular formula C150H141Cl7F2N20O11S and a molecular weight of 2718.14 g/mol. Its IUPAC name is [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-fluoro-3-methylpiperidin-1-yl)methanone;3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]-N-(propan-2-ylsulfamoyl)aniline;3-(2-chloro-4-methylphenyl)-5-[2-(1-fluoro-2-methylpropan-2-yl)-4-pyridinyl]pyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-1-amine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]propan-2-amine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate.

Molecular Properties

• Compound Name: [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-fluoro-3-methylpiperidin-1-yl)methanone;3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]-N-(propan-2-ylsulfamoyl)aniline;3-(2-chloro-4-methylphenyl)-5-[2-(1-fluoro-2-methylpropan-2-yl)-4-pyridinyl]pyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-1-amine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]propan-2-amine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate
• PubChem CID: 158809997
• Molecular Formula: C150H141Cl7F2N20O11S
• Molecular Weight: 2718.14 g/mol
• Exact Mass: 2712.86
• IUPAC Name: [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-fluoro-3-methylpiperidin-1-yl)methanone;3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]-N-(propan-2-ylsulfamoyl)aniline;3-(2-chloro-4-methylphenyl)-5-[2-(1-fluoro-2-methylpropan-2-yl)-4-pyridinyl]pyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-1-amine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]propan-2-amine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate
• SMILES: CC(C)NS(=O)(=O)Nc1ccc(-c2cncc(-c3ccnc4c3OCCO4)c2)c(Cl)c1.CC1CN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5CC5)c4)c3)c(Cl)c2)CCC1F.Cc1ccc(-c2cncc(-c3ccnc(C(C)(C)CF)c3)c2)c(Cl)c1.Cc1ccc(-c2cncc(-c3ccnc(C(C)(C)CN)c3)c2)c(Cl)c1.Cc1ccc(-c2cncc(-c3ccnc(C(C)(C)N)c3)c2)c(Cl)c1.Cc1ccc(-c2cncc(-c3ccnc4c3OCCO4)c2)c(Cl)c1.O=C(Nc1ccc(-c2cncc(-c3ccnc4c3OCCO4)c2)c(Cl)c1)OC1CC1
• InChI: InChI=1S/C26H25ClFN3O.C22H18ClN3O4.C21H20ClFN2.C21H21ClN4O4S.C21H22ClN3.C20H20ClN3.C19H15ClN2O2/c1-16-15-31(9-7-24(16)28)26(32)19-4-5-22(23(27)11-19)21-10-20(13-29-14-21)18-6-8-30-25(12-18)17-2-3-17;23-19-10-15(26-22(27)30-16-2-3-16)1-4-17(19)13-9-14(12-24-11-13)18-5-6-25-21-20(18)28-7-8-29-21;1-14-4-5-18(19(22)8-14)17-9-16(11-24-12-17)15-6-7-25-20(10-15)21(2,3)13-23;1-13(2)25-31(27,28)26-16-3-4-17(19(22)10-16)14-9-15(12-23-11-14)18-5-6-24-21-20(18)29-7-8-30-21;1-14-4-5-18(19(22)8-14)17-9-16(11-24-12-17)15-6-7-25-20(10-15)21(2,3)13-23;1-13-4-5-17(18(21)8-13)16-9-15(11-23-12-16)14-6-7-24-19(10-14)20(2,3)22;1-12-2-3-15(17(20)8-12)13-9-14(11-21-10-13)16-4-5-22-19-18(16)23-6-7-24-19/h4-6,8,10-14,16-17,24H,2-3,7,9,15H2,1H3;1,4-6,9-12,16H,2-3,7-8H2,(H,26,27);4-12H,13H2,1-3H3;3-6,9-13,25-26H,7-8H2,1-2H3;4-12H,13,23H2,1-3H3;4-12H,22H2,1-3H3;2-5,8-11H,6-7H2,1H3
• InChIKey: IUOFLTYVERCRNY-UHFFFAOYSA-N
• XLogP: 35.54
• TPSA: 404.72 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2718.14
LogP ≤ 5	35.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-fluoro-3-methylpiperidin-1-yl)methanone;3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]-N-(propan-2-ylsulfamoyl)aniline;3-(2-chloro-4-methylphenyl)-5-[2-(1-fluoro-2-methylpropan-2-yl)-4-pyridinyl]pyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-1-amine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]propan-2-amine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate?

The IUPAC name of [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-fluoro-3-methylpiperidin-1-yl)methanone;3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]-N-(propan-2-ylsulfamoyl)aniline;3-(2-chloro-4-methylphenyl)-5-[2-(1-fluoro-2-methylpropan-2-yl)-4-pyridinyl]pyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-1-amine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]propan-2-amine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate (CID 158809997) is [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-fluoro-3-methylpiperidin-1-yl)methanone;3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]-N-(propan-2-ylsulfamoyl)aniline;3-(2-chloro-4-methylphenyl)-5-[2-(1-fluoro-2-methylpropan-2-yl)-4-pyridinyl]pyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-1-amine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]propan-2-amine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate.

What is the SMILES notation for [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-fluoro-3-methylpiperidin-1-yl)methanone;3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]-N-(propan-2-ylsulfamoyl)aniline;3-(2-chloro-4-methylphenyl)-5-[2-(1-fluoro-2-methylpropan-2-yl)-4-pyridinyl]pyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-1-amine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]propan-2-amine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate?

The canonical SMILES for [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-fluoro-3-methylpiperidin-1-yl)methanone;3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]-N-(propan-2-ylsulfamoyl)aniline;3-(2-chloro-4-methylphenyl)-5-[2-(1-fluoro-2-methylpropan-2-yl)-4-pyridinyl]pyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-1-amine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]propan-2-amine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate is CC(C)NS(=O)(=O)Nc1ccc(-c2cncc(-c3ccnc4c3OCCO4)c2)c(Cl)c1.CC1CN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5CC5)c4)c3)c(Cl)c2)CCC1F.Cc1ccc(-c2cncc(-c3ccnc(C(C)(C)CF)c3)c2)c(Cl)c1.Cc1ccc(-c2cncc(-c3ccnc(C(C)(C)CN)c3)c2)c(Cl)c1.Cc1ccc(-c2cncc(-c3ccnc(C(C)(C)N)c3)c2)c(Cl)c1.Cc1ccc(-c2cncc(-c3ccnc4c3OCCO4)c2)c(Cl)c1.O=C(Nc1ccc(-c2cncc(-c3ccnc4c3OCCO4)c2)c(Cl)c1)OC1CC1.

What is the InChIKey of [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-fluoro-3-methylpiperidin-1-yl)methanone;3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]-N-(propan-2-ylsulfamoyl)aniline;3-(2-chloro-4-methylphenyl)-5-[2-(1-fluoro-2-methylpropan-2-yl)-4-pyridinyl]pyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-1-amine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]propan-2-amine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate?

The InChIKey is IUOFLTYVERCRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN3O.C22H18ClN3O4.C21H20ClFN2.C21H21ClN4O4S.C21H22ClN3.C20H20ClN3.C19H15ClN2O2/c1-16-15-31(9-7-24(16)28)26(32)19-4-5-22(23(27)11-19)21-10-20(13-29-14-21)18-6-8-30-25(12-18)17-2-3-17;23-19-10-15(26-22(27)30-16-2-3-16)1-4-17(19)13-9-14(12-24-11-13)18-5-6-25-21-20(18)28-7-8-29-21;1-14-4-5-18(19(22)8-14)17-9-16(11-24-12-17)15-6-7-25-20(10-15)21(2,3)13-23;1-13(2)25-31(27,28)26-16-3-4-17(19(22)10-16)14-9-15(12-23-11-14)18-5-6-24-21-20(18)29-7-8-30-21;1-14-4-5-18(19(22)8-14)17-9-16(11-24-12-17)15-6-7-25-20(10-15)21(2,3)13-23;1-13-4-5-17(18(21)8-13)16-9-15(11-23-12-16)14-6-7-24-19(10-14)20(2,3)22;1-12-2-3-15(17(20)8-12)13-9-14(11-21-10-13)16-4-5-22-19-18(16)23-6-7-24-19/h4-6,8,10-14,16-17,24H,2-3,7,9,15H2,1H3;1,4-6,9-12,16H,2-3,7-8H2,(H,26,27);4-12H,13H2,1-3H3;3-6,9-13,25-26H,7-8H2,1-2H3;4-12H,13,23H2,1-3H3;4-12H,22H2,1-3H3;2-5,8-11H,6-7H2,1H3.

What are the key properties of [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-fluoro-3-methylpiperidin-1-yl)methanone;3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]-N-(propan-2-ylsulfamoyl)aniline;3-(2-chloro-4-methylphenyl)-5-[2-(1-fluoro-2-methylpropan-2-yl)-4-pyridinyl]pyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-1-amine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]propan-2-amine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate?

[3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-fluoro-3-methylpiperidin-1-yl)methanone;3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]-N-(propan-2-ylsulfamoyl)aniline;3-(2-chloro-4-methylphenyl)-5-[2-(1-fluoro-2-methylpropan-2-yl)-4-pyridinyl]pyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-1-amine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]propan-2-amine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate has a molecular weight of 2718.14 g/mol, XLogP of 35.54, 27 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for [3-chloro-4-[5-(2-cyclopropyl-4-pyridinyl)-3-pyridinyl]phenyl]-(4-fluoro-3-methylpiperidin-1-yl)methanone;3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]-N-(propan-2-ylsulfamoyl)aniline;3-(2-chloro-4-methylphenyl)-5-[2-(1-fluoro-2-methylpropan-2-yl)-4-pyridinyl]pyridine;8-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]-2-methylpropan-1-amine;2-[4-[5-(2-chloro-4-methylphenyl)-3-pyridinyl]-2-pyridinyl]propan-2-amine;cyclopropyl N-[3-chloro-4-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-3-pyridinyl]phenyl]carbamate is sourced from PubChem (CID 158809997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).