N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-6-(3-hydroxyphenyl)-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide

C121H103Cl4N17O12S — CID 161233049

About N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-6-(3-hydroxyphenyl)-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide

N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-6-(3-hydroxyphenyl)-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide (PubChem CID 161233049) has the molecular formula C121H103Cl4N17O12S and a molecular weight of 2161.14 g/mol. Its IUPAC name is N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-6-(3-hydroxyphenyl)-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-6-(3-hydroxyphenyl)-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
• PubChem CID: 161233049
• Molecular Formula: C121H103Cl4N17O12S
• Molecular Weight: 2161.14 g/mol
• Exact Mass: 2157.64
• IUPAC Name: N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-6-(3-hydroxyphenyl)-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide
• SMILES: Cc1cccc(-c2cnc(C)c(C(=O)N[C@@H](C)c3cc4cccc(Cl)c4c(=O)n3-c3ccccc3)n2)c1.Cc1ncc(-c2ccc(OC(C)C)cc2)nc1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1.Cc1ncc(-c2cccc(O)c2)nc1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1.Cc1ncc(-c2cncc(CS(C)(=O)=O)c2)nc1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
• InChI: InChI=1S/C32H29ClN4O3.C30H26ClN5O4S.C30H25ClN4O2.C29H23ClN4O3/c1-19(2)40-25-15-13-22(14-16-25)27-18-34-21(4)30(36-27)31(38)35-20(3)28-17-23-9-8-12-26(33)29(23)32(39)37(28)24-10-6-5-7-11-24;1-18(26-13-21-8-7-11-24(31)27(21)30(38)36(26)23-9-5-4-6-10-23)34-29(37)28-19(2)33-16-25(35-28)22-12-20(14-32-15-22)17-41(3,39)40;1-18-9-7-10-21(15-18)25-17-32-20(3)28(34-25)29(36)33-19(2)26-16-22-11-8-14-24(31)27(22)30(37)35(26)23-12-5-4-6-13-23;1-17(32-28(36)27-18(2)31-16-24(33-27)19-8-6-12-22(35)14-19)25-15-20-9-7-13-23(30)26(20)29(37)34(25)21-10-4-3-5-11-21/h5-20H,1-4H3,(H,35,38);4-16,18H,17H2,1-3H3,(H,34,37);4-17,19H,1-3H3,(H,33,36);3-17,35H,1-2H3,(H,32,36)/t20-;18-;19-;17-/m0000/s1
• InChIKey: UYZWWMHIUZGOGD-GIWZFGDLSA-N
• XLogP: 23.34
• TPSA: 384.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2161.14
LogP ≤ 5	23.34
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-6-(3-hydroxyphenyl)-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide?

The IUPAC name of N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-6-(3-hydroxyphenyl)-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide (CID 161233049) is N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-6-(3-hydroxyphenyl)-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide.

What is the SMILES notation for N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-6-(3-hydroxyphenyl)-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide?

The canonical SMILES for N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-6-(3-hydroxyphenyl)-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide is Cc1cccc(-c2cnc(C)c(C(=O)N[C@@H](C)c3cc4cccc(Cl)c4c(=O)n3-c3ccccc3)n2)c1.Cc1ncc(-c2ccc(OC(C)C)cc2)nc1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1.Cc1ncc(-c2cccc(O)c2)nc1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1.Cc1ncc(-c2cncc(CS(C)(=O)=O)c2)nc1C(=O)N[C@@H](C)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1.

What is the InChIKey of N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-6-(3-hydroxyphenyl)-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide?

The InChIKey is UYZWWMHIUZGOGD-GIWZFGDLSA-N. The full InChI is InChI=1S/C32H29ClN4O3.C30H26ClN5O4S.C30H25ClN4O2.C29H23ClN4O3/c1-19(2)40-25-15-13-22(14-16-25)27-18-34-21(4)30(36-27)31(38)35-20(3)28-17-23-9-8-12-26(33)29(23)32(39)37(28)24-10-6-5-7-11-24;1-18(26-13-21-8-7-11-24(31)27(21)30(38)36(26)23-9-5-4-6-10-23)34-29(37)28-19(2)33-16-25(35-28)22-12-20(14-32-15-22)17-41(3,39)40;1-18-9-7-10-21(15-18)25-17-32-20(3)28(34-25)29(36)33-19(2)26-16-22-11-8-14-24(31)27(22)30(37)35(26)23-12-5-4-6-13-23;1-17(32-28(36)27-18(2)31-16-24(33-27)19-8-6-12-22(35)14-19)25-15-20-9-7-13-23(30)26(20)29(37)34(25)21-10-4-3-5-11-21/h5-20H,1-4H3,(H,35,38);4-16,18H,17H2,1-3H3,(H,34,37);4-17,19H,1-3H3,(H,33,36);3-17,35H,1-2H3,(H,32,36)/t20-;18-;19-;17-/m0000/s1.

What are the key properties of N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-6-(3-hydroxyphenyl)-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide?

N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-6-(3-hydroxyphenyl)-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide has a molecular weight of 2161.14 g/mol, XLogP of 23.34, 24 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-6-(3-hydroxyphenyl)-3-methylpyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-[5-(methylsulfonylmethyl)-3-pyridinyl]pyrazine-2-carboxamide;N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]-3-methyl-6-(4-propan-2-yloxyphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 161233049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).