6-chloro-5-[6-cyclohexyl-2-(1H-indazol-3-ylamino)pyrimidin-4-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-(1H-indazol-3-ylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;3-oxo-5-[4-[(6-oxo-1,4,5,7-tetrahydroindazol-3-yl)amino]-1,3,5-triazin-2-yl]-1,2-dihydroindazole-7-carboxamide

C86H74Cl3FN34O7 — CID 157263292

About 6-chloro-5-[6-cyclohexyl-2-(1H-indazol-3-ylamino)pyrimidin-4-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-(1H-indazol-3-ylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;3-oxo-5-[4-[(6-oxo-1,4,5,7-tetrahydroindazol-3-yl)amino]-1,3,5-triazin-2-yl]-1,2-dihydroindazole-7-carboxamide

6-chloro-5-[6-cyclohexyl-2-(1H-indazol-3-ylamino)pyrimidin-4-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-(1H-indazol-3-ylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;3-oxo-5-[4-[(6-oxo-1,4,5,7-tetrahydroindazol-3-yl)amino]-1,3,5-triazin-2-yl]-1,2-dihydroindazole-7-carboxamide (PubChem CID 157263292) has the molecular formula C86H74Cl3FN34O7 and a molecular weight of 1821.13 g/mol. Its IUPAC name is 6-chloro-5-[6-cyclohexyl-2-(1H-indazol-3-ylamino)pyrimidin-4-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-(1H-indazol-3-ylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;3-oxo-5-[4-[(6-oxo-1,4,5,7-tetrahydroindazol-3-yl)amino]-1,3,5-triazin-2-yl]-1,2-dihydroindazole-7-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-5-[6-cyclohexyl-2-(1H-indazol-3-ylamino)pyrimidin-4-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-(1H-indazol-3-ylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;3-oxo-5-[4-[(6-oxo-1,4,5,7-tetrahydroindazol-3-yl)amino]-1,3,5-triazin-2-yl]-1,2-dihydroindazole-7-carboxamide
• PubChem CID: 157263292
• Molecular Formula: C86H74Cl3FN34O7
• Molecular Weight: 1821.13 g/mol
• Exact Mass: 1818.55
• IUPAC Name: 6-chloro-5-[6-cyclohexyl-2-(1H-indazol-3-ylamino)pyrimidin-4-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-(1H-indazol-3-ylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;3-oxo-5-[4-[(6-oxo-1,4,5,7-tetrahydroindazol-3-yl)amino]-1,3,5-triazin-2-yl]-1,2-dihydroindazole-7-carboxamide
• SMILES: NC(=O)c1cc(-c2ncnc(Nc3n[nH]c4c3CCC(=O)C4)n2)cc2c(=O)[nH][nH]c12.O=C1CCCN(c2nc(Nc3n[nH]c4ccc(F)cc34)nc(-c3cc4c(=O)[nH][nH]c4cc3Cl)n2)C1.O=c1[nH][nH]c2cc(Cl)c(-c3cc(C4CCCCC4)nc(Nc4n[nH]c5ccccc45)n3)cc12.O=c1[nH][nH]c2cc(Cl)c(-c3nc(Nc4n[nH]c5ccccc45)nc(N4CCCCC4)n3)cc12
• InChI: InChI=1S/C24H22ClN7O.C22H17ClFN9O2.C22H20ClN9O.C18H15N9O3/c25-17-11-21-16(23(33)32-30-21)10-15(17)20-12-19(13-6-2-1-3-7-13)26-24(27-20)28-22-14-8-4-5-9-18(14)29-31-22;23-15-8-17-14(20(35)32-30-17)7-12(15)18-25-21(28-22(27-18)33-5-1-2-11(34)9-33)26-19-13-6-10(24)3-4-16(13)29-31-19;23-15-11-17-14(20(33)31-29-17)10-13(15)18-24-21(27-22(26-18)32-8-4-1-5-9-32)25-19-12-6-2-3-7-16(12)28-30-19;19-14(29)10-3-7(4-11-13(10)25-27-17(11)30)15-20-6-21-18(22-15)23-16-9-2-1-8(28)5-12(9)24-26-16/h4-5,8-13H,1-3,6-7H2,(H2,30,32,33)(H2,26,27,28,29,31);3-4,6-8H,1-2,5,9H2,(H2,30,32,35)(H2,25,26,27,28,29,31);2-3,6-7,10-11H,1,4-5,8-9H2,(H2,29,31,33)(H2,24,25,26,27,28,30);3-4,6H,1-2,5H2,(H2,19,29)(H2,25,27,30)(H2,20,21,22,23,24,26)
• InChIKey: AXSFHKXVEUQPCD-UHFFFAOYSA-N
• XLogP: 13.23
• TPSA: 582.94 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1821.13
LogP ≤ 5	13.23
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[6-cyclohexyl-2-(1H-indazol-3-ylamino)pyrimidin-4-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-(1H-indazol-3-ylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;3-oxo-5-[4-[(6-oxo-1,4,5,7-tetrahydroindazol-3-yl)amino]-1,3,5-triazin-2-yl]-1,2-dihydroindazole-7-carboxamide?

The IUPAC name of 6-chloro-5-[6-cyclohexyl-2-(1H-indazol-3-ylamino)pyrimidin-4-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-(1H-indazol-3-ylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;3-oxo-5-[4-[(6-oxo-1,4,5,7-tetrahydroindazol-3-yl)amino]-1,3,5-triazin-2-yl]-1,2-dihydroindazole-7-carboxamide (CID 157263292) is 6-chloro-5-[6-cyclohexyl-2-(1H-indazol-3-ylamino)pyrimidin-4-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-(1H-indazol-3-ylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;3-oxo-5-[4-[(6-oxo-1,4,5,7-tetrahydroindazol-3-yl)amino]-1,3,5-triazin-2-yl]-1,2-dihydroindazole-7-carboxamide.

What is the SMILES notation for 6-chloro-5-[6-cyclohexyl-2-(1H-indazol-3-ylamino)pyrimidin-4-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-(1H-indazol-3-ylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;3-oxo-5-[4-[(6-oxo-1,4,5,7-tetrahydroindazol-3-yl)amino]-1,3,5-triazin-2-yl]-1,2-dihydroindazole-7-carboxamide?

The canonical SMILES for 6-chloro-5-[6-cyclohexyl-2-(1H-indazol-3-ylamino)pyrimidin-4-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-(1H-indazol-3-ylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;3-oxo-5-[4-[(6-oxo-1,4,5,7-tetrahydroindazol-3-yl)amino]-1,3,5-triazin-2-yl]-1,2-dihydroindazole-7-carboxamide is NC(=O)c1cc(-c2ncnc(Nc3n[nH]c4c3CCC(=O)C4)n2)cc2c(=O)[nH][nH]c12.O=C1CCCN(c2nc(Nc3n[nH]c4ccc(F)cc34)nc(-c3cc4c(=O)[nH][nH]c4cc3Cl)n2)C1.O=c1[nH][nH]c2cc(Cl)c(-c3cc(C4CCCCC4)nc(Nc4n[nH]c5ccccc45)n3)cc12.O=c1[nH][nH]c2cc(Cl)c(-c3nc(Nc4n[nH]c5ccccc45)nc(N4CCCCC4)n3)cc12.

What is the InChIKey of 6-chloro-5-[6-cyclohexyl-2-(1H-indazol-3-ylamino)pyrimidin-4-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-(1H-indazol-3-ylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;3-oxo-5-[4-[(6-oxo-1,4,5,7-tetrahydroindazol-3-yl)amino]-1,3,5-triazin-2-yl]-1,2-dihydroindazole-7-carboxamide?

The InChIKey is AXSFHKXVEUQPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN7O.C22H17ClFN9O2.C22H20ClN9O.C18H15N9O3/c25-17-11-21-16(23(33)32-30-21)10-15(17)20-12-19(13-6-2-1-3-7-13)26-24(27-20)28-22-14-8-4-5-9-18(14)29-31-22;23-15-8-17-14(20(35)32-30-17)7-12(15)18-25-21(28-22(27-18)33-5-1-2-11(34)9-33)26-19-13-6-10(24)3-4-16(13)29-31-19;23-15-11-17-14(20(33)31-29-17)10-13(15)18-24-21(27-22(26-18)32-8-4-1-5-9-32)25-19-12-6-2-3-7-16(12)28-30-19;19-14(29)10-3-7(4-11-13(10)25-27-17(11)30)15-20-6-21-18(22-15)23-16-9-2-1-8(28)5-12(9)24-26-16/h4-5,8-13H,1-3,6-7H2,(H2,30,32,33)(H2,26,27,28,29,31);3-4,6-8H,1-2,5,9H2,(H2,30,32,35)(H2,25,26,27,28,29,31);2-3,6-7,10-11H,1,4-5,8-9H2,(H2,29,31,33)(H2,24,25,26,27,28,30);3-4,6H,1-2,5H2,(H2,19,29)(H2,25,27,30)(H2,20,21,22,23,24,26).

What are the key properties of 6-chloro-5-[6-cyclohexyl-2-(1H-indazol-3-ylamino)pyrimidin-4-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-(1H-indazol-3-ylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;3-oxo-5-[4-[(6-oxo-1,4,5,7-tetrahydroindazol-3-yl)amino]-1,3,5-triazin-2-yl]-1,2-dihydroindazole-7-carboxamide?

6-chloro-5-[6-cyclohexyl-2-(1H-indazol-3-ylamino)pyrimidin-4-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-(1H-indazol-3-ylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;3-oxo-5-[4-[(6-oxo-1,4,5,7-tetrahydroindazol-3-yl)amino]-1,3,5-triazin-2-yl]-1,2-dihydroindazole-7-carboxamide has a molecular weight of 1821.13 g/mol, XLogP of 13.23, 16 rotatable bonds, 17 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-5-[6-cyclohexyl-2-(1H-indazol-3-ylamino)pyrimidin-4-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-6-(3-oxopiperidin-1-yl)-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-(1H-indazol-3-ylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;3-oxo-5-[4-[(6-oxo-1,4,5,7-tetrahydroindazol-3-yl)amino]-1,3,5-triazin-2-yl]-1,2-dihydroindazole-7-carboxamide is sourced from PubChem (CID 157263292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).