[4-[5-(2-tert-butyl-4-pyridinyl)isoquinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[7-(2-tert-butyl-4-pyridinyl)isoquinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)quinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3H-furo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone

C173H178Cl6N18O9 — CID 157063976

About [4-[5-(2-tert-butyl-4-pyridinyl)isoquinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[7-(2-tert-butyl-4-pyridinyl)isoquinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)quinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3H-furo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone

[4-[5-(2-tert-butyl-4-pyridinyl)isoquinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[7-(2-tert-butyl-4-pyridinyl)isoquinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)quinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3H-furo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 157063976) has the molecular formula C173H178Cl6N18O9 and a molecular weight of 2866.16 g/mol. Its IUPAC name is [4-[5-(2-tert-butyl-4-pyridinyl)isoquinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[7-(2-tert-butyl-4-pyridinyl)isoquinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)quinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3H-furo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: [4-[5-(2-tert-butyl-4-pyridinyl)isoquinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[7-(2-tert-butyl-4-pyridinyl)isoquinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)quinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3H-furo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
• PubChem CID: 157063976
• Molecular Formula: C173H178Cl6N18O9
• Molecular Weight: 2866.16 g/mol
• Exact Mass: 2861.22
• IUPAC Name: [4-[5-(2-tert-butyl-4-pyridinyl)isoquinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[7-(2-tert-butyl-4-pyridinyl)isoquinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)quinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3H-furo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone
• SMILES: CC1CCN(C(=O)c2ccc(-c3cc(-c4ccnc(C(C)(C)C)c4)c4cccnc4c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cc(-c4ccnc(C(C)(C)C)c4)c4ccncc4c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cc(-c4ccnc(C(C)(C)C)c4)cc4cnccc34)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc5c4CC(C)(C)O5)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc5c4CCC(C)(C)O5)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc5c4CCO5)c3)c(Cl)c2)CC1
• InChI: InChI=1S/3C31H32ClN3O.C28H30ClN3O2.C27H28ClN3O2.C25H24ClN3O2/c1-20-9-13-35(14-10-20)30(36)22-5-6-26(28(32)17-22)23-15-24-19-33-11-8-25(24)27(16-23)21-7-12-34-29(18-21)31(2,3)4;1-20-9-13-35(14-10-20)30(36)22-5-6-26(28(32)17-22)27-16-23(15-24-19-33-11-8-25(24)27)21-7-12-34-29(18-21)31(2,3)4;1-20-10-14-35(15-11-20)30(36)22-7-8-24(27(32)17-22)23-16-26(25-6-5-12-33-28(25)18-23)21-9-13-34-29(19-21)31(2,3)4;1-18-8-12-32(13-9-18)27(33)19-4-5-23(25(29)15-19)21-14-20(16-30-17-21)22-7-11-31-26-24(22)6-10-28(2,3)34-26;1-17-7-10-31(11-8-17)26(32)18-4-5-22(24(28)13-18)20-12-19(15-29-16-20)21-6-9-30-25-23(21)14-27(2,3)33-25;1-16-5-9-29(10-6-16)25(30)17-2-3-21(23(26)13-17)19-12-18(14-27-15-19)20-4-8-28-24-22(20)7-11-31-24/h2*5-8,11-12,15-20H,9-10,13-14H2,1-4H3;5-9,12-13,16-20H,10-11,14-15H2,1-4H3;4-5,7,11,14-18H,6,8-10,12-13H2,1-3H3;4-6,9,12-13,15-17H,7-8,10-11,14H2,1-3H3;2-4,8,12-16H,5-7,9-11H2,1H3
• InChIKey: ABQRORUHAYBYBQ-UHFFFAOYSA-N
• XLogP: 41.12
• TPSA: 304.23 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2866.16
LogP ≤ 5	41.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of [4-[5-(2-tert-butyl-4-pyridinyl)isoquinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[7-(2-tert-butyl-4-pyridinyl)isoquinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)quinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3H-furo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone?

The IUPAC name of [4-[5-(2-tert-butyl-4-pyridinyl)isoquinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[7-(2-tert-butyl-4-pyridinyl)isoquinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)quinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3H-furo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone (CID 157063976) is [4-[5-(2-tert-butyl-4-pyridinyl)isoquinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[7-(2-tert-butyl-4-pyridinyl)isoquinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)quinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3H-furo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone.

What is the SMILES notation for [4-[5-(2-tert-butyl-4-pyridinyl)isoquinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[7-(2-tert-butyl-4-pyridinyl)isoquinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)quinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3H-furo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone?

The canonical SMILES for [4-[5-(2-tert-butyl-4-pyridinyl)isoquinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[7-(2-tert-butyl-4-pyridinyl)isoquinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)quinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3H-furo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(-c3cc(-c4ccnc(C(C)(C)C)c4)c4cccnc4c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cc(-c4ccnc(C(C)(C)C)c4)c4ccncc4c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cc(-c4ccnc(C(C)(C)C)c4)cc4cnccc34)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc5c4CC(C)(C)O5)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc5c4CCC(C)(C)O5)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc5c4CCO5)c3)c(Cl)c2)CC1.

What is the InChIKey of [4-[5-(2-tert-butyl-4-pyridinyl)isoquinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[7-(2-tert-butyl-4-pyridinyl)isoquinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)quinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3H-furo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone?

The InChIKey is ABQRORUHAYBYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C31H32ClN3O.C28H30ClN3O2.C27H28ClN3O2.C25H24ClN3O2/c1-20-9-13-35(14-10-20)30(36)22-5-6-26(28(32)17-22)23-15-24-19-33-11-8-25(24)27(16-23)21-7-12-34-29(18-21)31(2,3)4;1-20-9-13-35(14-10-20)30(36)22-5-6-26(28(32)17-22)27-16-23(15-24-19-33-11-8-25(24)27)21-7-12-34-29(18-21)31(2,3)4;1-20-10-14-35(15-11-20)30(36)22-7-8-24(27(32)17-22)23-16-26(25-6-5-12-33-28(25)18-23)21-9-13-34-29(19-21)31(2,3)4;1-18-8-12-32(13-9-18)27(33)19-4-5-23(25(29)15-19)21-14-20(16-30-17-21)22-7-11-31-26-24(22)6-10-28(2,3)34-26;1-17-7-10-31(11-8-17)26(32)18-4-5-22(24(28)13-18)20-12-19(15-29-16-20)21-6-9-30-25-23(21)14-27(2,3)33-25;1-16-5-9-29(10-6-16)25(30)17-2-3-21(23(26)13-17)19-12-18(14-27-15-19)20-4-8-28-24-22(20)7-11-31-24/h2*5-8,11-12,15-20H,9-10,13-14H2,1-4H3;5-9,12-13,16-20H,10-11,14-15H2,1-4H3;4-5,7,11,14-18H,6,8-10,12-13H2,1-3H3;4-6,9,12-13,15-17H,7-8,10-11,14H2,1-3H3;2-4,8,12-16H,5-7,9-11H2,1H3.

What are the key properties of [4-[5-(2-tert-butyl-4-pyridinyl)isoquinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[7-(2-tert-butyl-4-pyridinyl)isoquinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)quinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3H-furo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone?

[4-[5-(2-tert-butyl-4-pyridinyl)isoquinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[7-(2-tert-butyl-4-pyridinyl)isoquinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)quinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3H-furo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 2866.16 g/mol, XLogP of 41.12, 18 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-(2-tert-butyl-4-pyridinyl)isoquinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[7-(2-tert-butyl-4-pyridinyl)isoquinolin-5-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)quinolin-7-yl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,3-dihydrofuro[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3,4-dihydropyrano[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-4-[5-(2,2-dimethyl-3H-furo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 157063976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).