6-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-5,6-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one

C93H63Cl2F9N24O4 — CID 159003681

About 6-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-5,6-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one

6-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-5,6-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one (PubChem CID 159003681) has the molecular formula C93H63Cl2F9N24O4 and a molecular weight of 1822.58 g/mol. Its IUPAC name is 6-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-5,6-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one.

Molecular Properties

• Compound Name: 6-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-5,6-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
• PubChem CID: 159003681
• Molecular Formula: C93H63Cl2F9N24O4
• Molecular Weight: 1822.58 g/mol
• Exact Mass: 1820.47
• IUPAC Name: 6-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-5,6-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
• SMILES: Cc1nc(-c2cc3c(=O)[nH][nH]c3cc2Cl)cc(Nc2n[nH]c3ccc(F)cc23)c1C.O=c1[nH][nH]c2cc(C(F)(F)F)c(-c3cc(Nc4n[nH]c5ccccc45)cc(-c4ccccc4)n3)cc12.O=c1[nH][nH]c2cc(Cl)c(-c3cc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)cc12.O=c1[nH][nH]c2ccc(-c3cc(Nc4n[nH]c5c(F)cc(F)cc45)c4ccccc4n3)c(C(F)(F)F)c12
• InChI: InChI=1S/C26H17F3N6O.C24H13F5N6O.C22H17ClN6O.C21H16ClFN6O/c27-26(28,29)19-13-23-18(25(36)35-33-23)12-17(19)22-11-15(10-21(31-22)14-6-2-1-3-7-14)30-24-16-8-4-5-9-20(16)32-34-24;25-10-7-13-21(14(26)8-10)33-34-22(13)31-17-9-18(30-15-4-2-1-3-11(15)17)12-5-6-16-19(23(36)35-32-16)20(12)24(27,28)29;23-15-8-20-14(22(30)29-27-20)7-13(15)19-9-18(12-3-1-2-4-16(12)24-19)25-21-10-17(26-28-21)11-5-6-11;1-9-10(2)24-18(12-6-14-19(7-15(12)22)27-29-21(14)30)8-17(9)25-20-13-5-11(23)3-4-16(13)26-28-20/h1-13H,(H2,33,35,36)(H2,30,31,32,34);1-9H,(H2,32,35,36)(H2,30,31,33,34);1-4,7-11H,5-6H2,(H2,27,29,30)(H2,24,25,26,28);3-8H,1-2H3,(H2,27,29,30)(H2,24,25,26,28)
• InChIKey: JRQQXSMFGQYTQK-UHFFFAOYSA-N
• XLogP: 22.23
• TPSA: 409.00 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1822.58
LogP ≤ 5	22.23
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-5,6-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one?

The IUPAC name of 6-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-5,6-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one (CID 159003681) is 6-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-5,6-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one.

What is the SMILES notation for 6-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-5,6-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one?

The canonical SMILES for 6-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-5,6-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one is Cc1nc(-c2cc3c(=O)[nH][nH]c3cc2Cl)cc(Nc2n[nH]c3ccc(F)cc23)c1C.O=c1[nH][nH]c2cc(C(F)(F)F)c(-c3cc(Nc4n[nH]c5ccccc45)cc(-c4ccccc4)n3)cc12.O=c1[nH][nH]c2cc(Cl)c(-c3cc(Nc4cc(C5CC5)[nH]n4)c4ccccc4n3)cc12.O=c1[nH][nH]c2ccc(-c3cc(Nc4n[nH]c5c(F)cc(F)cc45)c4ccccc4n3)c(C(F)(F)F)c12.

What is the InChIKey of 6-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-5,6-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one?

The InChIKey is JRQQXSMFGQYTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3N6O.C24H13F5N6O.C22H17ClN6O.C21H16ClFN6O/c27-26(28,29)19-13-23-18(25(36)35-33-23)12-17(19)22-11-15(10-21(31-22)14-6-2-1-3-7-14)30-24-16-8-4-5-9-20(16)32-34-24;25-10-7-13-21(14(26)8-10)33-34-22(13)31-17-9-18(30-15-4-2-1-3-11(15)17)12-5-6-16-19(23(36)35-32-16)20(12)24(27,28)29;23-15-8-20-14(22(30)29-27-20)7-13(15)19-9-18(12-3-1-2-4-16(12)24-19)25-21-10-17(26-28-21)11-5-6-11;1-9-10(2)24-18(12-6-14-19(7-15(12)22)27-29-21(14)30)8-17(9)25-20-13-5-11(23)3-4-16(13)26-28-20/h1-13H,(H2,33,35,36)(H2,30,31,32,34);1-9H,(H2,32,35,36)(H2,30,31,33,34);1-4,7-11H,5-6H2,(H2,27,29,30)(H2,24,25,26,28);3-8H,1-2H3,(H2,27,29,30)(H2,24,25,26,28).

What are the key properties of 6-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-5,6-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one?

6-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-5,6-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one has a molecular weight of 1822.58 g/mol, XLogP of 22.23, 14 rotatable bonds, 16 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinolin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-5,6-dimethyl-2-pyridinyl]-1,2-dihydroindazol-3-one;5-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinolin-2-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[4-(1H-indazol-3-ylamino)-6-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one is sourced from PubChem (CID 159003681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).