1-benzyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclobutylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(cyclopentylmethyl)urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(1-methylpiperidin-4-yl)urea

C118H107Cl5N32O10 — CID 159291829

About 1-benzyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclobutylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(cyclopentylmethyl)urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(1-methylpiperidin-4-yl)urea

1-benzyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclobutylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(cyclopentylmethyl)urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(1-methylpiperidin-4-yl)urea (PubChem CID 159291829) has the molecular formula C118H107Cl5N32O10 and a molecular weight of 2310.63 g/mol. Its IUPAC name is 1-benzyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclobutylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(cyclopentylmethyl)urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(1-methylpiperidin-4-yl)urea.

Molecular Properties

• Compound Name: 1-benzyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclobutylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(cyclopentylmethyl)urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(1-methylpiperidin-4-yl)urea
• PubChem CID: 159291829
• Molecular Formula: C118H107Cl5N32O10
• Molecular Weight: 2310.63 g/mol
• Exact Mass: 2306.73
• IUPAC Name: 1-benzyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclobutylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(cyclopentylmethyl)urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(1-methylpiperidin-4-yl)urea
• SMILES: CN1CC(CNC(=O)Nc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)[nH]c2=O)C1.CN1CCC(NC(=O)Nc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)[nH]c2=O)CC1.O=C(NCC1CCCC1)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.O=C(NCc1ccccc1)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.O=C(Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O)NC1CCC1
• InChI: InChI=1S/C25H19ClN6O2.C24H24ClN7O2.C24H23ClN6O2.C23H22ClN7O2.C22H19ClN6O2/c26-19-12-17(11-18-14-28-32-20(18)19)22-21(16-9-5-2-6-10-16)29-23(24(33)30-22)31-25(34)27-13-15-7-3-1-4-8-15;1-32-9-7-17(8-10-32)27-24(34)30-22-23(33)29-21(20(28-22)14-5-3-2-4-6-14)15-11-16-13-26-31-19(16)18(25)12-15;25-18-11-16(10-17-13-27-31-19(17)18)21-20(15-8-2-1-3-9-15)28-22(23(32)29-21)30-24(33)26-12-14-6-4-5-7-14;1-31-11-13(12-31)9-25-23(33)29-21-22(32)28-20(19(27-21)14-5-3-2-4-6-14)15-7-16-10-26-30-18(16)17(24)8-15;23-16-10-13(9-14-11-24-29-17(14)16)19-18(12-5-2-1-3-6-12)26-20(21(30)27-19)28-22(31)25-15-7-4-8-15/h1-12,14H,13H2,(H,28,32)(H,30,33)(H2,27,29,31,34);2-6,11-13,17H,7-10H2,1H3,(H,26,31)(H,29,33)(H2,27,28,30,34);1-3,8-11,13-14H,4-7,12H2,(H,27,31)(H,29,32)(H2,26,28,30,33);2-8,10,13H,9,11-12H2,1H3,(H,26,30)(H,28,32)(H2,25,27,29,33);1-3,5-6,9-11,15H,4,7-8H2,(H,24,29)(H,27,30)(H2,25,26,28,31)
• InChIKey: LAFLQIAKWFNMJT-UHFFFAOYSA-N
• XLogP: 21.37
• TPSA: 584.28 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 22
• Rotatable Bonds: 23
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2310.63
LogP ≤ 5	21.37
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclobutylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(cyclopentylmethyl)urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(1-methylpiperidin-4-yl)urea?

The IUPAC name of 1-benzyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclobutylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(cyclopentylmethyl)urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(1-methylpiperidin-4-yl)urea (CID 159291829) is 1-benzyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclobutylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(cyclopentylmethyl)urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(1-methylpiperidin-4-yl)urea.

What is the SMILES notation for 1-benzyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclobutylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(cyclopentylmethyl)urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(1-methylpiperidin-4-yl)urea?

The canonical SMILES for 1-benzyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclobutylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(cyclopentylmethyl)urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(1-methylpiperidin-4-yl)urea is CN1CC(CNC(=O)Nc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)[nH]c2=O)C1.CN1CCC(NC(=O)Nc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)[nH]c2=O)CC1.O=C(NCC1CCCC1)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.O=C(NCc1ccccc1)Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.O=C(Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O)NC1CCC1.

What is the InChIKey of 1-benzyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclobutylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(cyclopentylmethyl)urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(1-methylpiperidin-4-yl)urea?

The InChIKey is LAFLQIAKWFNMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN6O2.C24H24ClN7O2.C24H23ClN6O2.C23H22ClN7O2.C22H19ClN6O2/c26-19-12-17(11-18-14-28-32-20(18)19)22-21(16-9-5-2-6-10-16)29-23(24(33)30-22)31-25(34)27-13-15-7-3-1-4-8-15;1-32-9-7-17(8-10-32)27-24(34)30-22-23(33)29-21(20(28-22)14-5-3-2-4-6-14)15-11-16-13-26-31-19(16)18(25)12-15;25-18-11-16(10-17-13-27-31-19(17)18)21-20(15-8-2-1-3-9-15)28-22(23(32)29-21)30-24(33)26-12-14-6-4-5-7-14;1-31-11-13(12-31)9-25-23(33)29-21-22(32)28-20(19(27-21)14-5-3-2-4-6-14)15-7-16-10-26-30-18(16)17(24)8-15;23-16-10-13(9-14-11-24-29-17(14)16)19-18(12-5-2-1-3-6-12)26-20(21(30)27-19)28-22(31)25-15-7-4-8-15/h1-12,14H,13H2,(H,28,32)(H,30,33)(H2,27,29,31,34);2-6,11-13,17H,7-10H2,1H3,(H,26,31)(H,29,33)(H2,27,28,30,34);1-3,8-11,13-14H,4-7,12H2,(H,27,31)(H,29,32)(H2,26,28,30,33);2-8,10,13H,9,11-12H2,1H3,(H,26,30)(H,28,32)(H2,25,27,29,33);1-3,5-6,9-11,15H,4,7-8H2,(H,24,29)(H,27,30)(H2,25,26,28,31).

What are the key properties of 1-benzyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclobutylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(cyclopentylmethyl)urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(1-methylpiperidin-4-yl)urea?

1-benzyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclobutylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(cyclopentylmethyl)urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(1-methylpiperidin-4-yl)urea has a molecular weight of 2310.63 g/mol, XLogP of 21.37, 23 rotatable bonds, 20 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-3-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-cyclobutylurea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(cyclopentylmethyl)urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 159291829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).