[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(oxan-4-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate

C165H180Cl6N18O14 — CID 162251378

About [3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(oxan-4-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate

[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(oxan-4-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate (PubChem CID 162251378) has the molecular formula C165H180Cl6N18O14 and a molecular weight of 2852.08 g/mol. Its IUPAC name is [3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(oxan-4-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate.

Molecular Properties

• Compound Name: [3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(oxan-4-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate
• PubChem CID: 162251378
• Molecular Formula: C165H180Cl6N18O14
• Molecular Weight: 2852.08 g/mol
• Exact Mass: 2847.21
• IUPAC Name: [3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(oxan-4-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate
• SMILES: CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)CO)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)O)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5(C)OCCO5)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5CCOCC5)c4)c3)c(Cl)c2)CC1.CCOC(=O)CC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC(C)CC4)cc3Cl)c2)ccn1.COC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC(C)CC4)cc3Cl)c2)ccn1
• InChI: InChI=1S/C30H34ClN3O3.C28H30ClN3O2.C27H28ClN3O3.2C27H30ClN3O2.C26H28ClN3O2/c1-5-37-28(35)17-30(3,4)27-16-21(8-11-33-27)23-14-24(19-32-18-23)25-7-6-22(15-26(25)31)29(36)34-12-9-20(2)10-13-34;1-19-5-10-32(11-6-19)28(33)22-2-3-25(26(29)15-22)24-14-23(17-30-18-24)21-4-9-31-27(16-21)20-7-12-34-13-8-20;1-18-6-9-31(10-7-18)26(32)20-3-4-23(24(28)14-20)22-13-21(16-29-17-22)19-5-8-30-25(15-19)27(2)33-11-12-34-27;1-18-8-11-31(12-9-18)26(32)20-5-6-23(24(28)14-20)22-13-21(16-29-17-22)19-7-10-30-25(15-19)27(2,3)33-4;1-18-7-10-31(11-8-18)26(33)20-4-5-23(24(28)13-20)22-12-21(15-29-16-22)19-6-9-30-25(14-19)27(2,3)17-32;1-17-7-10-30(11-8-17)25(31)19-4-5-22(23(27)13-19)21-12-20(15-28-16-21)18-6-9-29-24(14-18)26(2,3)32/h6-8,11,14-16,18-20H,5,9-10,12-13,17H2,1-4H3;2-4,9,14-20H,5-8,10-13H2,1H3;3-5,8,13-18H,6-7,9-12H2,1-2H3;5-7,10,13-18H,8-9,11-12H2,1-4H3;4-6,9,12-16,18,32H,7-8,10-11,17H2,1-3H3;4-6,9,12-17,32H,7-8,10-11H2,1-3H3
• InChIKey: ZYAPOYVJNWWQQJ-UHFFFAOYSA-N
• XLogP: 35.74
• TPSA: 380.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 29
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2852.08
LogP ≤ 5	35.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(oxan-4-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate?

The IUPAC name of [3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(oxan-4-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate (CID 162251378) is [3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(oxan-4-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate.

What is the SMILES notation for [3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(oxan-4-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate?

The canonical SMILES for [3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(oxan-4-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate is CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)CO)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C(C)(C)O)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5(C)OCCO5)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5CCOCC5)c4)c3)c(Cl)c2)CC1.CCOC(=O)CC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC(C)CC4)cc3Cl)c2)ccn1.COC(C)(C)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC(C)CC4)cc3Cl)c2)ccn1.

What is the InChIKey of [3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(oxan-4-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate?

The InChIKey is ZYAPOYVJNWWQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN3O3.C28H30ClN3O2.C27H28ClN3O3.2C27H30ClN3O2.C26H28ClN3O2/c1-5-37-28(35)17-30(3,4)27-16-21(8-11-33-27)23-14-24(19-32-18-23)25-7-6-22(15-26(25)31)29(36)34-12-9-20(2)10-13-34;1-19-5-10-32(11-6-19)28(33)22-2-3-25(26(29)15-22)24-14-23(17-30-18-24)21-4-9-31-27(16-21)20-7-12-34-13-8-20;1-18-6-9-31(10-7-18)26(32)20-3-4-23(24(28)14-20)22-13-21(16-29-17-22)19-5-8-30-25(15-19)27(2)33-11-12-34-27;1-18-8-11-31(12-9-18)26(32)20-5-6-23(24(28)14-20)22-13-21(16-29-17-22)19-7-10-30-25(15-19)27(2,3)33-4;1-18-7-10-31(11-8-18)26(33)20-4-5-23(24(28)13-20)22-12-21(15-29-16-22)19-6-9-30-25(14-19)27(2,3)17-32;1-17-7-10-30(11-8-17)25(31)19-4-5-22(23(27)13-19)21-12-20(15-28-16-21)18-6-9-29-24(14-18)26(2,3)32/h6-8,11,14-16,18-20H,5,9-10,12-13,17H2,1-4H3;2-4,9,14-20H,5-8,10-13H2,1H3;3-5,8,13-18H,6-7,9-12H2,1-2H3;5-7,10,13-18H,8-9,11-12H2,1-4H3;4-6,9,12-16,18,32H,7-8,10-11,17H2,1-3H3;4-6,9,12-17,32H,7-8,10-11H2,1-3H3.

What are the key properties of [3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(oxan-4-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate?

[3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(oxan-4-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate has a molecular weight of 2852.08 g/mol, XLogP of 35.74, 29 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [3-chloro-4-[5-[2-(1-hydroxy-2-methylpropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methoxypropan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(2-methyl-1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-[2-(oxan-4-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;ethyl 3-[4-[5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-3-pyridinyl]-2-pyridinyl]-3-methylbutanoate is sourced from PubChem (CID 162251378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).