6-chloro-5-[5-(1H-indazol-3-ylamino)-1,6-naphthyridin-7-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[1-(1H-indazol-3-ylamino)-5,6,7,8-tetrahydroisoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[8-(1H-indazol-3-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-4-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one

C94H64Cl2F6N26O4 — CID 157055397

About 6-chloro-5-[5-(1H-indazol-3-ylamino)-1,6-naphthyridin-7-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[1-(1H-indazol-3-ylamino)-5,6,7,8-tetrahydroisoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[8-(1H-indazol-3-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-4-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one

6-chloro-5-[5-(1H-indazol-3-ylamino)-1,6-naphthyridin-7-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[1-(1H-indazol-3-ylamino)-5,6,7,8-tetrahydroisoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[8-(1H-indazol-3-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-4-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one (PubChem CID 157055397) has the molecular formula C94H64Cl2F6N26O4 and a molecular weight of 1806.62 g/mol. Its IUPAC name is 6-chloro-5-[5-(1H-indazol-3-ylamino)-1,6-naphthyridin-7-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[1-(1H-indazol-3-ylamino)-5,6,7,8-tetrahydroisoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[8-(1H-indazol-3-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-4-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one.

Molecular Properties

• Compound Name: 6-chloro-5-[5-(1H-indazol-3-ylamino)-1,6-naphthyridin-7-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[1-(1H-indazol-3-ylamino)-5,6,7,8-tetrahydroisoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[8-(1H-indazol-3-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-4-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
• PubChem CID: 157055397
• Molecular Formula: C94H64Cl2F6N26O4
• Molecular Weight: 1806.62 g/mol
• Exact Mass: 1804.49
• IUPAC Name: 6-chloro-5-[5-(1H-indazol-3-ylamino)-1,6-naphthyridin-7-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[1-(1H-indazol-3-ylamino)-5,6,7,8-tetrahydroisoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[8-(1H-indazol-3-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-4-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
• SMILES: O=c1[nH][nH]c2cc(C(F)(F)F)c(-c3cc(-c4ccccc4)cc(Nc4n[nH]c5ccccc45)n3)cc12.O=c1[nH][nH]c2cc(C(F)(F)F)c(-c3cc4cccnc4c(Nc4n[nH]c5ccccc45)n3)cc12.O=c1[nH][nH]c2cc(Cl)c(-c3cc4c(c(Nc5n[nH]c6ccccc56)n3)CCCC4)cc12.O=c1[nH][nH]c2cc(Cl)c(-c3cc4ncccc4c(Nc4n[nH]c5ccccc45)n3)cc12
• InChI: InChI=1S/C26H17F3N6O.C23H19ClN6O.C23H14F3N7O.C22H14ClN7O/c27-26(28,29)19-13-22-18(25(36)35-33-22)12-17(19)21-10-15(14-6-2-1-3-7-14)11-23(30-21)31-24-16-8-4-5-9-20(16)32-34-24;24-17-11-20-16(23(31)30-28-20)10-15(17)19-9-12-5-1-2-6-13(12)21(25-19)26-22-14-7-3-4-8-18(14)27-29-22;24-23(25,26)15-10-18-14(22(34)33-31-18)9-13(15)17-8-11-4-3-7-27-19(11)21(28-17)29-20-12-5-1-2-6-16(12)30-32-20;23-15-9-19-14(22(31)30-28-19)8-13(15)18-10-17-12(5-3-7-24-17)20(25-18)26-21-11-4-1-2-6-16(11)27-29-21/h1-13H,(H2,33,35,36)(H2,30,31,32,34);3-4,7-11H,1-2,5-6H2,(H2,28,30,31)(H2,25,26,27,29);1-10H,(H2,31,33,34)(H2,28,29,30,32);1-10H,(H2,28,30,31)(H2,25,26,27,29)
• InChIKey: AARUFZVSYCQMOA-UHFFFAOYSA-N
• XLogP: 21.14
• TPSA: 434.78 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1806.62
LogP ≤ 5	21.14
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[5-(1H-indazol-3-ylamino)-1,6-naphthyridin-7-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[1-(1H-indazol-3-ylamino)-5,6,7,8-tetrahydroisoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[8-(1H-indazol-3-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-4-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one?

The IUPAC name of 6-chloro-5-[5-(1H-indazol-3-ylamino)-1,6-naphthyridin-7-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[1-(1H-indazol-3-ylamino)-5,6,7,8-tetrahydroisoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[8-(1H-indazol-3-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-4-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one (CID 157055397) is 6-chloro-5-[5-(1H-indazol-3-ylamino)-1,6-naphthyridin-7-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[1-(1H-indazol-3-ylamino)-5,6,7,8-tetrahydroisoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[8-(1H-indazol-3-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-4-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one.

What is the SMILES notation for 6-chloro-5-[5-(1H-indazol-3-ylamino)-1,6-naphthyridin-7-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[1-(1H-indazol-3-ylamino)-5,6,7,8-tetrahydroisoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[8-(1H-indazol-3-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-4-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one?

The canonical SMILES for 6-chloro-5-[5-(1H-indazol-3-ylamino)-1,6-naphthyridin-7-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[1-(1H-indazol-3-ylamino)-5,6,7,8-tetrahydroisoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[8-(1H-indazol-3-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-4-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one is O=c1[nH][nH]c2cc(C(F)(F)F)c(-c3cc(-c4ccccc4)cc(Nc4n[nH]c5ccccc45)n3)cc12.O=c1[nH][nH]c2cc(C(F)(F)F)c(-c3cc4cccnc4c(Nc4n[nH]c5ccccc45)n3)cc12.O=c1[nH][nH]c2cc(Cl)c(-c3cc4c(c(Nc5n[nH]c6ccccc56)n3)CCCC4)cc12.O=c1[nH][nH]c2cc(Cl)c(-c3cc4ncccc4c(Nc4n[nH]c5ccccc45)n3)cc12.

What is the InChIKey of 6-chloro-5-[5-(1H-indazol-3-ylamino)-1,6-naphthyridin-7-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[1-(1H-indazol-3-ylamino)-5,6,7,8-tetrahydroisoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[8-(1H-indazol-3-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-4-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one?

The InChIKey is AARUFZVSYCQMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3N6O.C23H19ClN6O.C23H14F3N7O.C22H14ClN7O/c27-26(28,29)19-13-22-18(25(36)35-33-22)12-17(19)21-10-15(14-6-2-1-3-7-14)11-23(30-21)31-24-16-8-4-5-9-20(16)32-34-24;24-17-11-20-16(23(31)30-28-20)10-15(17)19-9-12-5-1-2-6-13(12)21(25-19)26-22-14-7-3-4-8-18(14)27-29-22;24-23(25,26)15-10-18-14(22(34)33-31-18)9-13(15)17-8-11-4-3-7-27-19(11)21(28-17)29-20-12-5-1-2-6-16(12)30-32-20;23-15-9-19-14(22(31)30-28-19)8-13(15)18-10-17-12(5-3-7-24-17)20(25-18)26-21-11-4-1-2-6-16(11)27-29-21/h1-13H,(H2,33,35,36)(H2,30,31,32,34);3-4,7-11H,1-2,5-6H2,(H2,28,30,31)(H2,25,26,27,29);1-10H,(H2,31,33,34)(H2,28,29,30,32);1-10H,(H2,28,30,31)(H2,25,26,27,29).

What are the key properties of 6-chloro-5-[5-(1H-indazol-3-ylamino)-1,6-naphthyridin-7-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[1-(1H-indazol-3-ylamino)-5,6,7,8-tetrahydroisoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[8-(1H-indazol-3-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-4-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one?

6-chloro-5-[5-(1H-indazol-3-ylamino)-1,6-naphthyridin-7-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[1-(1H-indazol-3-ylamino)-5,6,7,8-tetrahydroisoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[8-(1H-indazol-3-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-4-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one has a molecular weight of 1806.62 g/mol, XLogP of 21.14, 13 rotatable bonds, 16 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-5-[5-(1H-indazol-3-ylamino)-1,6-naphthyridin-7-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[1-(1H-indazol-3-ylamino)-5,6,7,8-tetrahydroisoquinolin-3-yl]-1,2-dihydroindazol-3-one;5-[8-(1H-indazol-3-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-4-phenyl-2-pyridinyl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one is sourced from PubChem (CID 157055397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).