6-chloro-5-[4-(1H-indazol-3-ylamino)-5-methyl-6-morpholin-4-ylpyrimidin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]-[1,2]thiazolo[5,4-d]pyrimidin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-8-(4-methylpiperazin-1-yl)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;N-[4-[6-(1H-indazol-3-ylamino)-5-methyl-2-[3-oxo-6-(trifluoromethyl)-1,2-dihydroindazol-5-yl]pyrimidin-4-yl]cyclohexyl]acetamide

C99H80ClF12N33O6S — CID 162030500

About 6-chloro-5-[4-(1H-indazol-3-ylamino)-5-methyl-6-morpholin-4-ylpyrimidin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]-[1,2]thiazolo[5,4-d]pyrimidin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-8-(4-methylpiperazin-1-yl)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;N-[4-[6-(1H-indazol-3-ylamino)-5-methyl-2-[3-oxo-6-(trifluoromethyl)-1,2-dihydroindazol-5-yl]pyrimidin-4-yl]cyclohexyl]acetamide

6-chloro-5-[4-(1H-indazol-3-ylamino)-5-methyl-6-morpholin-4-ylpyrimidin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]-[1,2]thiazolo[5,4-d]pyrimidin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-8-(4-methylpiperazin-1-yl)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;N-[4-[6-(1H-indazol-3-ylamino)-5-methyl-2-[3-oxo-6-(trifluoromethyl)-1,2-dihydroindazol-5-yl]pyrimidin-4-yl]cyclohexyl]acetamide (PubChem CID 162030500) has the molecular formula C99H80ClF12N33O6S and a molecular weight of 2123.45 g/mol. Its IUPAC name is 6-chloro-5-[4-(1H-indazol-3-ylamino)-5-methyl-6-morpholin-4-ylpyrimidin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]-[1,2]thiazolo[5,4-d]pyrimidin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-8-(4-methylpiperazin-1-yl)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;N-[4-[6-(1H-indazol-3-ylamino)-5-methyl-2-[3-oxo-6-(trifluoromethyl)-1,2-dihydroindazol-5-yl]pyrimidin-4-yl]cyclohexyl]acetamide.

Molecular Properties

• Compound Name: 6-chloro-5-[4-(1H-indazol-3-ylamino)-5-methyl-6-morpholin-4-ylpyrimidin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]-[1,2]thiazolo[5,4-d]pyrimidin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-8-(4-methylpiperazin-1-yl)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;N-[4-[6-(1H-indazol-3-ylamino)-5-methyl-2-[3-oxo-6-(trifluoromethyl)-1,2-dihydroindazol-5-yl]pyrimidin-4-yl]cyclohexyl]acetamide
• PubChem CID: 162030500
• Molecular Formula: C99H80ClF12N33O6S
• Molecular Weight: 2123.45 g/mol
• Exact Mass: 2121.62
• IUPAC Name: 6-chloro-5-[4-(1H-indazol-3-ylamino)-5-methyl-6-morpholin-4-ylpyrimidin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]-[1,2]thiazolo[5,4-d]pyrimidin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-8-(4-methylpiperazin-1-yl)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;N-[4-[6-(1H-indazol-3-ylamino)-5-methyl-2-[3-oxo-6-(trifluoromethyl)-1,2-dihydroindazol-5-yl]pyrimidin-4-yl]cyclohexyl]acetamide
• SMILES: CC(=O)NC1CCC(c2nc(-c3cc4c(=O)[nH][nH]c4cc3C(F)(F)F)nc(Nc3n[nH]c4ccccc34)c2C)CC1.CN1CCN(c2cccc3c(Nc4n[nH]c5c(F)cccc45)nc(-c4ccc5[nH][nH]c(=O)c5c4C(F)(F)F)nc23)CC1.Cc1c(Nc2n[nH]c3ccccc23)nc(-c2cc3c(=O)[nH][nH]c3cc2Cl)nc1N1CCOCC1.O=c1[nH][nH]c2cc(C(F)(F)F)c(-c3nc(Nc4n[nH]c5c(F)cc(F)cc45)c4cnsc4n3)cc12
• InChI: InChI=1S/C28H23F4N9O.C28H27F3N8O2.C23H21ClN8O2.C20H9F5N8OS/c1-40-10-12-41(13-11-40)19-7-3-5-16-23(19)33-24(14-8-9-18-20(27(42)39-36-18)21(14)28(30,31)32)34-25(16)35-26-15-4-2-6-17(29)22(15)37-38-26;1-13-23(15-7-9-16(10-8-15)32-14(2)40)33-25(34-24(13)35-26-17-5-3-4-6-21(17)36-38-26)18-11-19-22(37-39-27(19)41)12-20(18)28(29,30)31;1-12-19(26-21-13-4-2-3-5-17(13)28-30-21)25-20(27-22(12)32-6-8-34-9-7-32)14-10-15-18(11-16(14)24)29-31-23(15)33;21-6-1-9-14(12(22)2-6)31-32-17(9)28-16-10-5-26-35-19(10)29-15(27-16)7-3-8-13(30-33-18(8)34)4-11(7)20(23,24)25/h2-9H,10-13H2,1H3,(H2,36,39,42)(H2,33,34,35,37,38);3-6,11-12,15-16H,7-10H2,1-2H3,(H,32,40)(H2,37,39,41)(H2,33,34,35,36,38);2-5,10-11H,6-9H2,1H3,(H2,29,31,33)(H2,25,26,27,28,30);1-5H,(H2,30,33,34)(H2,27,28,29,31,32)
• InChIKey: YVYNJYKOLXMPHI-UHFFFAOYSA-N
• XLogP: 18.99
• TPSA: 521.50 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2123.45
LogP ≤ 5	18.99
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[4-(1H-indazol-3-ylamino)-5-methyl-6-morpholin-4-ylpyrimidin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]-[1,2]thiazolo[5,4-d]pyrimidin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-8-(4-methylpiperazin-1-yl)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;N-[4-[6-(1H-indazol-3-ylamino)-5-methyl-2-[3-oxo-6-(trifluoromethyl)-1,2-dihydroindazol-5-yl]pyrimidin-4-yl]cyclohexyl]acetamide?

The IUPAC name of 6-chloro-5-[4-(1H-indazol-3-ylamino)-5-methyl-6-morpholin-4-ylpyrimidin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]-[1,2]thiazolo[5,4-d]pyrimidin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-8-(4-methylpiperazin-1-yl)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;N-[4-[6-(1H-indazol-3-ylamino)-5-methyl-2-[3-oxo-6-(trifluoromethyl)-1,2-dihydroindazol-5-yl]pyrimidin-4-yl]cyclohexyl]acetamide (CID 162030500) is 6-chloro-5-[4-(1H-indazol-3-ylamino)-5-methyl-6-morpholin-4-ylpyrimidin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]-[1,2]thiazolo[5,4-d]pyrimidin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-8-(4-methylpiperazin-1-yl)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;N-[4-[6-(1H-indazol-3-ylamino)-5-methyl-2-[3-oxo-6-(trifluoromethyl)-1,2-dihydroindazol-5-yl]pyrimidin-4-yl]cyclohexyl]acetamide.

What is the SMILES notation for 6-chloro-5-[4-(1H-indazol-3-ylamino)-5-methyl-6-morpholin-4-ylpyrimidin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]-[1,2]thiazolo[5,4-d]pyrimidin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-8-(4-methylpiperazin-1-yl)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;N-[4-[6-(1H-indazol-3-ylamino)-5-methyl-2-[3-oxo-6-(trifluoromethyl)-1,2-dihydroindazol-5-yl]pyrimidin-4-yl]cyclohexyl]acetamide?

The canonical SMILES for 6-chloro-5-[4-(1H-indazol-3-ylamino)-5-methyl-6-morpholin-4-ylpyrimidin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]-[1,2]thiazolo[5,4-d]pyrimidin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-8-(4-methylpiperazin-1-yl)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;N-[4-[6-(1H-indazol-3-ylamino)-5-methyl-2-[3-oxo-6-(trifluoromethyl)-1,2-dihydroindazol-5-yl]pyrimidin-4-yl]cyclohexyl]acetamide is CC(=O)NC1CCC(c2nc(-c3cc4c(=O)[nH][nH]c4cc3C(F)(F)F)nc(Nc3n[nH]c4ccccc34)c2C)CC1.CN1CCN(c2cccc3c(Nc4n[nH]c5c(F)cccc45)nc(-c4ccc5[nH][nH]c(=O)c5c4C(F)(F)F)nc23)CC1.Cc1c(Nc2n[nH]c3ccccc23)nc(-c2cc3c(=O)[nH][nH]c3cc2Cl)nc1N1CCOCC1.O=c1[nH][nH]c2cc(C(F)(F)F)c(-c3nc(Nc4n[nH]c5c(F)cc(F)cc45)c4cnsc4n3)cc12.

What is the InChIKey of 6-chloro-5-[4-(1H-indazol-3-ylamino)-5-methyl-6-morpholin-4-ylpyrimidin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]-[1,2]thiazolo[5,4-d]pyrimidin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-8-(4-methylpiperazin-1-yl)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;N-[4-[6-(1H-indazol-3-ylamino)-5-methyl-2-[3-oxo-6-(trifluoromethyl)-1,2-dihydroindazol-5-yl]pyrimidin-4-yl]cyclohexyl]acetamide?

The InChIKey is YVYNJYKOLXMPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F4N9O.C28H27F3N8O2.C23H21ClN8O2.C20H9F5N8OS/c1-40-10-12-41(13-11-40)19-7-3-5-16-23(19)33-24(14-8-9-18-20(27(42)39-36-18)21(14)28(30,31)32)34-25(16)35-26-15-4-2-6-17(29)22(15)37-38-26;1-13-23(15-7-9-16(10-8-15)32-14(2)40)33-25(34-24(13)35-26-17-5-3-4-6-21(17)36-38-26)18-11-19-22(37-39-27(19)41)12-20(18)28(29,30)31;1-12-19(26-21-13-4-2-3-5-17(13)28-30-21)25-20(27-22(12)32-6-8-34-9-7-32)14-10-15-18(11-16(14)24)29-31-23(15)33;21-6-1-9-14(12(22)2-6)31-32-17(9)28-16-10-5-26-35-19(10)29-15(27-16)7-3-8-13(30-33-18(8)34)4-11(7)20(23,24)25/h2-9H,10-13H2,1H3,(H2,36,39,42)(H2,33,34,35,37,38);3-6,11-12,15-16H,7-10H2,1-2H3,(H,32,40)(H2,37,39,41)(H2,33,34,35,36,38);2-5,10-11H,6-9H2,1H3,(H2,29,31,33)(H2,25,26,27,28,30);1-5H,(H2,30,33,34)(H2,27,28,29,31,32).

What are the key properties of 6-chloro-5-[4-(1H-indazol-3-ylamino)-5-methyl-6-morpholin-4-ylpyrimidin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]-[1,2]thiazolo[5,4-d]pyrimidin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-8-(4-methylpiperazin-1-yl)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;N-[4-[6-(1H-indazol-3-ylamino)-5-methyl-2-[3-oxo-6-(trifluoromethyl)-1,2-dihydroindazol-5-yl]pyrimidin-4-yl]cyclohexyl]acetamide?

6-chloro-5-[4-(1H-indazol-3-ylamino)-5-methyl-6-morpholin-4-ylpyrimidin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]-[1,2]thiazolo[5,4-d]pyrimidin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-8-(4-methylpiperazin-1-yl)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;N-[4-[6-(1H-indazol-3-ylamino)-5-methyl-2-[3-oxo-6-(trifluoromethyl)-1,2-dihydroindazol-5-yl]pyrimidin-4-yl]cyclohexyl]acetamide has a molecular weight of 2123.45 g/mol, XLogP of 18.99, 16 rotatable bonds, 17 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-5-[4-(1H-indazol-3-ylamino)-5-methyl-6-morpholin-4-ylpyrimidin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]-[1,2]thiazolo[5,4-d]pyrimidin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-[(7-fluoro-1H-indazol-3-yl)amino]-8-(4-methylpiperazin-1-yl)quinazolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;N-[4-[6-(1H-indazol-3-ylamino)-5-methyl-2-[3-oxo-6-(trifluoromethyl)-1,2-dihydroindazol-5-yl]pyrimidin-4-yl]cyclohexyl]acetamide is sourced from PubChem (CID 162030500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).