3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)-1H-pyrazin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

C116H100Cl5N31O5S — CID 158691693

About 3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)-1H-pyrazin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine

3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)-1H-pyrazin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (PubChem CID 158691693) has the molecular formula C116H100Cl5N31O5S and a molecular weight of 2217.62 g/mol. Its IUPAC name is 3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)-1H-pyrazin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)-1H-pyrazin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
• PubChem CID: 158691693
• Molecular Formula: C116H100Cl5N31O5S
• Molecular Weight: 2217.62 g/mol
• Exact Mass: 2213.67
• IUPAC Name: 3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)-1H-pyrazin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
• SMILES: CCN(CC)CCCc1nc(-c2cc(Cl)c3ncoc3c2)c(-c2ccn(C)n2)nc1N.Cc1ccn(-c2nc(NCc3ccccc3)c(=O)[nH]c2-c2cc(Cl)c3ncccc3c2)n1.Cc1ncc(-c2nc(NCc3ccccc3)c(=O)[nH]c2-c2cc(Cl)c3ncccc3c2)s1.Cn1ccc(-c2nc(NCc3ccccc3)c(=O)[nH]c2-c2cc(Cl)c3[nH]ncc3c2)n1.Cn1ccc(-c2nc(NCc3ccccc3)c(=O)[nH]c2-c2cc(Cl)c3ncccc3c2)n1
• InChI: InChI=1S/2C24H19ClN6O.C24H18ClN5OS.C22H18ClN7O.C22H26ClN7O/c1-31-11-9-19(30-31)22-21(17-12-16-8-5-10-26-20(16)18(25)13-17)29-24(32)23(28-22)27-14-15-6-3-2-4-7-15;1-15-9-11-31(30-15)23-21(18-12-17-8-5-10-26-20(17)19(25)13-18)28-24(32)22(29-23)27-14-16-6-3-2-4-7-16;1-14-27-13-19(32-14)22-21(17-10-16-8-5-9-26-20(16)18(25)11-17)30-24(31)23(29-22)28-12-15-6-3-2-4-7-15;1-30-8-7-17(29-30)20-19(14-9-15-12-25-28-18(15)16(23)10-14)27-22(31)21(26-20)24-11-13-5-3-2-4-6-13;1-4-30(5-2)9-6-7-17-22(24)27-21(16-8-10-29(3)28-16)19(26-17)14-11-15(23)20-18(12-14)31-13-25-20/h2-13H,14H2,1H3,(H,27,28)(H,29,32);2-13H,14H2,1H3,(H,27,29)(H,28,32);2-11,13H,12H2,1H3,(H,28,29)(H,30,31);2-10,12H,11H2,1H3,(H,24,26)(H,25,28)(H,27,31);8,10-13H,4-7,9H2,1-3H3,(H2,24,27)
• InChIKey: IGKTXIALNWCMCC-UHFFFAOYSA-N
• XLogP: 23.25
• TPSA: 463.71 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 28
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2217.62
LogP ≤ 5	23.25
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)-1H-pyrazin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?

The IUPAC name of 3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)-1H-pyrazin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine (CID 158691693) is 3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)-1H-pyrazin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine.

What is the SMILES notation for 3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)-1H-pyrazin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?

The canonical SMILES for 3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)-1H-pyrazin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is CCN(CC)CCCc1nc(-c2cc(Cl)c3ncoc3c2)c(-c2ccn(C)n2)nc1N.Cc1ccn(-c2nc(NCc3ccccc3)c(=O)[nH]c2-c2cc(Cl)c3ncccc3c2)n1.Cc1ncc(-c2nc(NCc3ccccc3)c(=O)[nH]c2-c2cc(Cl)c3ncccc3c2)s1.Cn1ccc(-c2nc(NCc3ccccc3)c(=O)[nH]c2-c2cc(Cl)c3[nH]ncc3c2)n1.Cn1ccc(-c2nc(NCc3ccccc3)c(=O)[nH]c2-c2cc(Cl)c3ncccc3c2)n1.

What is the InChIKey of 3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)-1H-pyrazin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?

The InChIKey is IGKTXIALNWCMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H19ClN6O.C24H18ClN5OS.C22H18ClN7O.C22H26ClN7O/c1-31-11-9-19(30-31)22-21(17-12-16-8-5-10-26-20(16)18(25)13-17)29-24(32)23(28-22)27-14-15-6-3-2-4-7-15;1-15-9-11-31(30-15)23-21(18-12-17-8-5-10-26-20(17)19(25)13-18)28-24(32)22(29-23)27-14-16-6-3-2-4-7-16;1-14-27-13-19(32-14)22-21(17-10-16-8-5-9-26-20(16)18(25)11-17)30-24(31)23(29-22)28-12-15-6-3-2-4-7-15;1-30-8-7-17(29-30)20-19(14-9-15-12-25-28-18(15)16(23)10-14)27-22(31)21(26-20)24-11-13-5-3-2-4-6-13;1-4-30(5-2)9-6-7-17-22(24)27-21(16-8-10-29(3)28-16)19(26-17)14-11-15(23)20-18(12-14)31-13-25-20/h2-13H,14H2,1H3,(H,27,28)(H,29,32);2-13H,14H2,1H3,(H,27,29)(H,28,32);2-11,13H,12H2,1H3,(H,28,29)(H,30,31);2-10,12H,11H2,1H3,(H,24,26)(H,25,28)(H,27,31);8,10-13H,4-7,9H2,1-3H3,(H2,24,27).

What are the key properties of 3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)-1H-pyrazin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine?

3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)-1H-pyrazin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine has a molecular weight of 2217.62 g/mol, XLogP of 23.25, 28 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-1H-pyrazin-2-one;3-(benzylamino)-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)-1H-pyrazin-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine is sourced from PubChem (CID 158691693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).