1-[5-acetyl-6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazin-2-yl]-cyclopentylmethanone;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-[2-(1-methylpyrrol-2-yl)ethyl]pyrazin-2-yl]-8-methyl-2H-isoquinolin-1-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methyl-1,2-thiazol-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N,3-N-dimethyl-6-phenylpyrazine-2,3-diamine

C108H97Cl4N29O5S2 — CID 158976785

About 1-[5-acetyl-6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazin-2-yl]-cyclopentylmethanone;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-[2-(1-methylpyrrol-2-yl)ethyl]pyrazin-2-yl]-8-methyl-2H-isoquinolin-1-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methyl-1,2-thiazol-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N,3-N-dimethyl-6-phenylpyrazine-2,3-diamine

1-[5-acetyl-6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazin-2-yl]-cyclopentylmethanone;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-[2-(1-methylpyrrol-2-yl)ethyl]pyrazin-2-yl]-8-methyl-2H-isoquinolin-1-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methyl-1,2-thiazol-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N,3-N-dimethyl-6-phenylpyrazine-2,3-diamine (PubChem CID 158976785) has the molecular formula C108H97Cl4N29O5S2 and a molecular weight of 2087.11 g/mol. Its IUPAC name is 1-[5-acetyl-6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazin-2-yl]-cyclopentylmethanone;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-[2-(1-methylpyrrol-2-yl)ethyl]pyrazin-2-yl]-8-methyl-2H-isoquinolin-1-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methyl-1,2-thiazol-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N,3-N-dimethyl-6-phenylpyrazine-2,3-diamine.

Molecular Properties

• Compound Name: 1-[5-acetyl-6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazin-2-yl]-cyclopentylmethanone;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-[2-(1-methylpyrrol-2-yl)ethyl]pyrazin-2-yl]-8-methyl-2H-isoquinolin-1-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methyl-1,2-thiazol-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N,3-N-dimethyl-6-phenylpyrazine-2,3-diamine
• PubChem CID: 158976785
• Molecular Formula: C108H97Cl4N29O5S2
• Molecular Weight: 2087.11 g/mol
• Exact Mass: 2083.64
• IUPAC Name: 1-[5-acetyl-6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazin-2-yl]-cyclopentylmethanone;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-[2-(1-methylpyrrol-2-yl)ethyl]pyrazin-2-yl]-8-methyl-2H-isoquinolin-1-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methyl-1,2-thiazol-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N,3-N-dimethyl-6-phenylpyrazine-2,3-diamine
• SMILES: CC(=O)c1nc(-c2cc(Cl)c3ncccc3c2)c(-n2ccccc2=O)nc1N.CN(C)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.Cc1cc(-c2nc(CCc3cccn3C)c(N)nc2-c2ccn(C)n2)cc2cc[nH]c(=O)c12.Cc1cc(-c2nc(N)c(NCC3CCOCC3)nc2-c2cc(Cl)c3nc[nH]c3c2)ns1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncsc3c2)nc1C(=O)C1CCCC1
• InChI: InChI=1S/C25H25N7O.C23H19ClN4OS.C21H22ClN7OS.C20H14ClN5O2.C19H17ClN6/c1-15-13-17(14-16-8-10-27-25(33)21(15)16)22-23(19-9-12-32(3)30-19)29-24(26)20(28-22)7-6-18-5-4-11-31(18)2;24-16-10-15(11-17-20(16)26-12-30-17)19-18(13-6-2-1-3-7-13)28-23(25)21(27-19)22(29)14-8-4-5-9-14;1-11-6-16(29-31-11)19-17(13-7-14(22)18-15(8-13)25-10-26-18)28-21(20(23)27-19)24-9-12-2-4-30-5-3-12;1-11(27)16-19(22)25-20(26-8-3-2-6-15(26)28)18(24-16)13-9-12-5-4-7-23-17(12)14(21)10-13;1-26(2)19-18(21)23-16(11-6-4-3-5-7-11)17(24-19)12-8-13-10-22-25-15(13)14(20)9-12/h4-5,8-14H,6-7H2,1-3H3,(H2,26,29)(H,27,33);1-3,6-7,10-12,14H,4-5,8-9H2,(H2,25,28);6-8,10,12H,2-5,9H2,1H3,(H2,23,27)(H,24,28)(H,25,26);2-10H,1H3,(H2,22,25);3-10H,1-2H3,(H2,21,23)(H,22,25)
• InChIKey: JOMKPCOYYPYDDT-UHFFFAOYSA-N
• XLogP: 21.22
• TPSA: 491.28 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 20
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2087.11
LogP ≤ 5	21.22
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 1-[5-acetyl-6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazin-2-yl]-cyclopentylmethanone;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-[2-(1-methylpyrrol-2-yl)ethyl]pyrazin-2-yl]-8-methyl-2H-isoquinolin-1-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methyl-1,2-thiazol-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N,3-N-dimethyl-6-phenylpyrazine-2,3-diamine?

The IUPAC name of 1-[5-acetyl-6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazin-2-yl]-cyclopentylmethanone;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-[2-(1-methylpyrrol-2-yl)ethyl]pyrazin-2-yl]-8-methyl-2H-isoquinolin-1-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methyl-1,2-thiazol-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N,3-N-dimethyl-6-phenylpyrazine-2,3-diamine (CID 158976785) is 1-[5-acetyl-6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazin-2-yl]-cyclopentylmethanone;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-[2-(1-methylpyrrol-2-yl)ethyl]pyrazin-2-yl]-8-methyl-2H-isoquinolin-1-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methyl-1,2-thiazol-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N,3-N-dimethyl-6-phenylpyrazine-2,3-diamine.

What is the SMILES notation for 1-[5-acetyl-6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazin-2-yl]-cyclopentylmethanone;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-[2-(1-methylpyrrol-2-yl)ethyl]pyrazin-2-yl]-8-methyl-2H-isoquinolin-1-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methyl-1,2-thiazol-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N,3-N-dimethyl-6-phenylpyrazine-2,3-diamine?

The canonical SMILES for 1-[5-acetyl-6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazin-2-yl]-cyclopentylmethanone;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-[2-(1-methylpyrrol-2-yl)ethyl]pyrazin-2-yl]-8-methyl-2H-isoquinolin-1-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methyl-1,2-thiazol-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N,3-N-dimethyl-6-phenylpyrazine-2,3-diamine is CC(=O)c1nc(-c2cc(Cl)c3ncccc3c2)c(-n2ccccc2=O)nc1N.CN(C)c1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.Cc1cc(-c2nc(CCc3cccn3C)c(N)nc2-c2ccn(C)n2)cc2cc[nH]c(=O)c12.Cc1cc(-c2nc(N)c(NCC3CCOCC3)nc2-c2cc(Cl)c3nc[nH]c3c2)ns1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3ncsc3c2)nc1C(=O)C1CCCC1.

What is the InChIKey of 1-[5-acetyl-6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazin-2-yl]-cyclopentylmethanone;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-[2-(1-methylpyrrol-2-yl)ethyl]pyrazin-2-yl]-8-methyl-2H-isoquinolin-1-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methyl-1,2-thiazol-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N,3-N-dimethyl-6-phenylpyrazine-2,3-diamine?

The InChIKey is JOMKPCOYYPYDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O.C23H19ClN4OS.C21H22ClN7OS.C20H14ClN5O2.C19H17ClN6/c1-15-13-17(14-16-8-10-27-25(33)21(15)16)22-23(19-9-12-32(3)30-19)29-24(26)20(28-22)7-6-18-5-4-11-31(18)2;24-16-10-15(11-17-20(16)26-12-30-17)19-18(13-6-2-1-3-7-13)28-23(25)21(27-19)22(29)14-8-4-5-9-14;1-11-6-16(29-31-11)19-17(13-7-14(22)18-15(8-13)25-10-26-18)28-21(20(23)27-19)24-9-12-2-4-30-5-3-12;1-11(27)16-19(22)25-20(26-8-3-2-6-15(26)28)18(24-16)13-9-12-5-4-7-23-17(12)14(21)10-13;1-26(2)19-18(21)23-16(11-6-4-3-5-7-11)17(24-19)12-8-13-10-22-25-15(13)14(20)9-12/h4-5,8-14H,6-7H2,1-3H3,(H2,26,29)(H,27,33);1-3,6-7,10-12,14H,4-5,8-9H2,(H2,25,28);6-8,10,12H,2-5,9H2,1H3,(H2,23,27)(H,24,28)(H,25,26);2-10H,1H3,(H2,22,25);3-10H,1-2H3,(H2,21,23)(H,22,25).

What are the key properties of 1-[5-acetyl-6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazin-2-yl]-cyclopentylmethanone;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-[2-(1-methylpyrrol-2-yl)ethyl]pyrazin-2-yl]-8-methyl-2H-isoquinolin-1-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methyl-1,2-thiazol-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N,3-N-dimethyl-6-phenylpyrazine-2,3-diamine?

1-[5-acetyl-6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazin-2-yl]-cyclopentylmethanone;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-[2-(1-methylpyrrol-2-yl)ethyl]pyrazin-2-yl]-8-methyl-2H-isoquinolin-1-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methyl-1,2-thiazol-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N,3-N-dimethyl-6-phenylpyrazine-2,3-diamine has a molecular weight of 2087.11 g/mol, XLogP of 21.22, 20 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-acetyl-6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazin-2-yl]-cyclopentylmethanone;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-[2-(1-methylpyrrol-2-yl)ethyl]pyrazin-2-yl]-8-methyl-2H-isoquinolin-1-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methyl-1,2-thiazol-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N,3-N-dimethyl-6-phenylpyrazine-2,3-diamine is sourced from PubChem (CID 158976785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).