(8aS)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[(2,5-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[5-[1-[(2,5-dichlorophenyl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one

C121H112Cl8F2N28O12 — CID 158654125

About (8aS)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[(2,5-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[5-[1-[(2,5-dichlorophenyl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one

(8aS)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[(2,5-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[5-[1-[(2,5-dichlorophenyl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one (PubChem CID 158654125) has the molecular formula C121H112Cl8F2N28O12 and a molecular weight of 2472.03 g/mol. Its IUPAC name is (8aS)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[(2,5-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[5-[1-[(2,5-dichlorophenyl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one.

Molecular Properties

• Compound Name: (8aS)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[(2,5-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[5-[1-[(2,5-dichlorophenyl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one
• PubChem CID: 158654125
• Molecular Formula: C121H112Cl8F2N28O12
• Molecular Weight: 2472.03 g/mol
• Exact Mass: 2466.65
• IUPAC Name: (8aS)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[(2,5-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[5-[1-[(2,5-dichlorophenyl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one
• SMILES: Cc1ccc(OC(F)F)c(Cn2c3cc(-c4cnc(N5CCN6C(=O)NC[C@H]6C5)nc4)ccc3c(=O)n2C)c1.Cn1c(=O)c2ccc(-c3cnc(N4CCC(C(=O)O)CC4)nc3)cc2n1Cc1cc(Cl)ccc1Cl.Cn1c(=O)c2ccc(-c3cnc(N4CCNC(=O)C4)nc3)cc2n1Cc1c(Cl)cccc1Cl.Cn1c(=O)c2ccc(-c3cnc(N4CCOCC4)nc3)cc2n1Cc1c(Cl)cccc1Cl.Cn1c(=O)c2ccc(-c3cnc(N4CCOCC4)nc3)cc2n1Cc1cc(Cl)ccc1Cl
• InChI: InChI=1S/C27H27F2N7O3.C25H23Cl2N5O3.C23H20Cl2N6O2.2C23H21Cl2N5O2/c1-16-3-6-23(39-25(28)29)18(9-16)14-36-22-10-17(4-5-21(22)24(37)33(36)2)19-11-30-26(31-12-19)34-7-8-35-20(15-34)13-32-27(35)38;1-30-23(33)20-4-2-16(11-22(20)32(30)14-17-10-19(26)3-5-21(17)27)18-12-28-25(29-13-18)31-8-6-15(7-9-31)24(34)35;1-29-22(33)16-6-5-14(9-20(16)31(29)12-17-18(24)3-2-4-19(17)25)15-10-27-23(28-11-15)30-8-7-26-21(32)13-30;1-28-22(31)19-4-2-15(17-12-26-23(27-13-17)29-6-8-32-9-7-29)11-21(19)30(28)14-16-10-18(24)3-5-20(16)25;1-28-22(31)17-6-5-15(16-12-26-23(27-13-16)29-7-9-32-10-8-29)11-21(17)30(28)14-18-19(24)3-2-4-20(18)25/h3-6,9-12,20,25H,7-8,13-15H2,1-2H3,(H,32,38);2-5,10-13,15H,6-9,14H2,1H3,(H,34,35);2-6,9-11H,7-8,12-13H2,1H3,(H,26,32);2-5,10-13H,6-9,14H2,1H3;2-6,11-13H,7-10,14H2,1H3/t20-;;;;/m0..../s1
• InChIKey: IBXMOHRVAAMIQL-YAVGSXOASA-N
• XLogP: 18.49
• TPSA: 406.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 36
• Rotatable Bonds: 23
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2472.03
LogP ≤ 5	18.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of (8aS)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[(2,5-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[5-[1-[(2,5-dichlorophenyl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one?

The IUPAC name of (8aS)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[(2,5-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[5-[1-[(2,5-dichlorophenyl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one (CID 158654125) is (8aS)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[(2,5-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[5-[1-[(2,5-dichlorophenyl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one.

What is the SMILES notation for (8aS)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[(2,5-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[5-[1-[(2,5-dichlorophenyl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one?

The canonical SMILES for (8aS)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[(2,5-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[5-[1-[(2,5-dichlorophenyl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one is Cc1ccc(OC(F)F)c(Cn2c3cc(-c4cnc(N5CCN6C(=O)NC[C@H]6C5)nc4)ccc3c(=O)n2C)c1.Cn1c(=O)c2ccc(-c3cnc(N4CCC(C(=O)O)CC4)nc3)cc2n1Cc1cc(Cl)ccc1Cl.Cn1c(=O)c2ccc(-c3cnc(N4CCNC(=O)C4)nc3)cc2n1Cc1c(Cl)cccc1Cl.Cn1c(=O)c2ccc(-c3cnc(N4CCOCC4)nc3)cc2n1Cc1c(Cl)cccc1Cl.Cn1c(=O)c2ccc(-c3cnc(N4CCOCC4)nc3)cc2n1Cc1cc(Cl)ccc1Cl.

What is the InChIKey of (8aS)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[(2,5-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[5-[1-[(2,5-dichlorophenyl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one?

The InChIKey is IBXMOHRVAAMIQL-YAVGSXOASA-N. The full InChI is InChI=1S/C27H27F2N7O3.C25H23Cl2N5O3.C23H20Cl2N6O2.2C23H21Cl2N5O2/c1-16-3-6-23(39-25(28)29)18(9-16)14-36-22-10-17(4-5-21(22)24(37)33(36)2)19-11-30-26(31-12-19)34-7-8-35-20(15-34)13-32-27(35)38;1-30-23(33)20-4-2-16(11-22(20)32(30)14-17-10-19(26)3-5-21(17)27)18-12-28-25(29-13-18)31-8-6-15(7-9-31)24(34)35;1-29-22(33)16-6-5-14(9-20(16)31(29)12-17-18(24)3-2-4-19(17)25)15-10-27-23(28-11-15)30-8-7-26-21(32)13-30;1-28-22(31)19-4-2-15(17-12-26-23(27-13-17)29-6-8-32-9-7-29)11-21(19)30(28)14-16-10-18(24)3-5-20(16)25;1-28-22(31)17-6-5-15(16-12-26-23(27-13-16)29-7-9-32-10-8-29)11-21(17)30(28)14-18-19(24)3-2-4-20(18)25/h3-6,9-12,20,25H,7-8,13-15H2,1-2H3,(H,32,38);2-5,10-13,15H,6-9,14H2,1H3,(H,34,35);2-6,9-11H,7-8,12-13H2,1H3,(H,26,32);2-5,10-13H,6-9,14H2,1H3;2-6,11-13H,7-10,14H2,1H3/t20-;;;;/m0..../s1.

What are the key properties of (8aS)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[(2,5-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[5-[1-[(2,5-dichlorophenyl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one?

(8aS)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[(2,5-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[5-[1-[(2,5-dichlorophenyl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one has a molecular weight of 2472.03 g/mol, XLogP of 18.49, 23 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (8aS)-7-[5-[1-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;1-[(2,5-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-3-one;1-[5-[1-[(2,5-dichlorophenyl)methyl]-2-methyl-3-oxoindazol-6-yl]pyrimidin-2-yl]piperidine-4-carboxylic acid;1-[(2,6-dichlorophenyl)methyl]-2-methyl-6-[2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]indazol-3-one is sourced from PubChem (CID 158654125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).