6-chloro-5-[4-(1H-indazol-3-ylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-ethynyl-5-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[5-(1H-indazol-3-ylamino)-6-piperidin-4-yl-1,2,4-triazin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one

C87H64ClF6N35O4 — CID 158781415

About 6-chloro-5-[4-(1H-indazol-3-ylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-ethynyl-5-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[5-(1H-indazol-3-ylamino)-6-piperidin-4-yl-1,2,4-triazin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one

6-chloro-5-[4-(1H-indazol-3-ylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-ethynyl-5-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[5-(1H-indazol-3-ylamino)-6-piperidin-4-yl-1,2,4-triazin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one (PubChem CID 158781415) has the molecular formula C87H64ClF6N35O4 and a molecular weight of 1813.15 g/mol. Its IUPAC name is 6-chloro-5-[4-(1H-indazol-3-ylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-ethynyl-5-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[5-(1H-indazol-3-ylamino)-6-piperidin-4-yl-1,2,4-triazin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one.

Molecular Properties

• Compound Name: 6-chloro-5-[4-(1H-indazol-3-ylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-ethynyl-5-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[5-(1H-indazol-3-ylamino)-6-piperidin-4-yl-1,2,4-triazin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
• PubChem CID: 158781415
• Molecular Formula: C87H64ClF6N35O4
• Molecular Weight: 1813.15 g/mol
• Exact Mass: 1811.55
• IUPAC Name: 6-chloro-5-[4-(1H-indazol-3-ylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-ethynyl-5-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[5-(1H-indazol-3-ylamino)-6-piperidin-4-yl-1,2,4-triazin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
• SMILES: C#Cc1c(-c2nc(Nc3n[nH]c(C)n3)c3ccccc3n2)ccc2[nH][nH]c(=O)c12.O=c1[nH][nH]c2cc(C(F)(F)F)c(-c3nc(Nc4cc(C5CC5)[nH]n4)nc(-c4ccncc4)n3)cc12.O=c1[nH][nH]c2cc(Cl)c(-c3nc(Nc4n[nH]c5ccccc45)nc(-c4cccnc4)n3)cc12.O=c1[nH][nH]c2ccc(-c3nnc(C4CCNCC4)c(Nc4n[nH]c5ccccc45)n3)c(C(F)(F)F)c12
• InChI: InChI=1S/C23H20F3N9O.C22H14ClN9O.C22H16F3N9O.C20H14N8O/c24-23(25,26)17-13(5-6-15-16(17)22(36)35-31-15)20-29-21(18(32-34-20)11-7-9-27-10-8-11)28-19-12-3-1-2-4-14(12)30-33-19;23-15-9-17-14(21(33)32-30-17)8-13(15)19-25-18(11-4-3-7-24-10-11)26-22(27-19)28-20-12-5-1-2-6-16(12)29-31-20;23-22(24,25)14-8-16-13(20(35)34-32-16)7-12(14)19-28-18(11-3-5-26-6-4-11)29-21(30-19)27-17-9-15(31-33-17)10-1-2-10;1-3-11-12(8-9-15-16(11)19(29)27-26-15)17-22-14-7-5-4-6-13(14)18(23-17)24-20-21-10(2)25-28-20/h1-6,11,27H,7-10H2,(H2,31,35,36)(H2,28,29,30,33,34);1-10H,(H2,30,32,33)(H2,25,26,27,28,29,31);3-10H,1-2H2,(H2,32,34,35)(H2,27,28,29,30,31,33);1,4-9H,2H3,(H2,26,27,29)(H2,21,22,23,24,25,28)
• InChIKey: IRCYQBDXFAWQAO-UHFFFAOYSA-N
• XLogP: 14.61
• TPSA: 549.93 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1813.15
LogP ≤ 5	14.61
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[4-(1H-indazol-3-ylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-ethynyl-5-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[5-(1H-indazol-3-ylamino)-6-piperidin-4-yl-1,2,4-triazin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?

The IUPAC name of 6-chloro-5-[4-(1H-indazol-3-ylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-ethynyl-5-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[5-(1H-indazol-3-ylamino)-6-piperidin-4-yl-1,2,4-triazin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one (CID 158781415) is 6-chloro-5-[4-(1H-indazol-3-ylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-ethynyl-5-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[5-(1H-indazol-3-ylamino)-6-piperidin-4-yl-1,2,4-triazin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one.

What is the SMILES notation for 6-chloro-5-[4-(1H-indazol-3-ylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-ethynyl-5-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[5-(1H-indazol-3-ylamino)-6-piperidin-4-yl-1,2,4-triazin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?

The canonical SMILES for 6-chloro-5-[4-(1H-indazol-3-ylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-ethynyl-5-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[5-(1H-indazol-3-ylamino)-6-piperidin-4-yl-1,2,4-triazin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one is C#Cc1c(-c2nc(Nc3n[nH]c(C)n3)c3ccccc3n2)ccc2[nH][nH]c(=O)c12.O=c1[nH][nH]c2cc(C(F)(F)F)c(-c3nc(Nc4cc(C5CC5)[nH]n4)nc(-c4ccncc4)n3)cc12.O=c1[nH][nH]c2cc(Cl)c(-c3nc(Nc4n[nH]c5ccccc45)nc(-c4cccnc4)n3)cc12.O=c1[nH][nH]c2ccc(-c3nnc(C4CCNCC4)c(Nc4n[nH]c5ccccc45)n3)c(C(F)(F)F)c12.

What is the InChIKey of 6-chloro-5-[4-(1H-indazol-3-ylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-ethynyl-5-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[5-(1H-indazol-3-ylamino)-6-piperidin-4-yl-1,2,4-triazin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?

The InChIKey is IRCYQBDXFAWQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N9O.C22H14ClN9O.C22H16F3N9O.C20H14N8O/c24-23(25,26)17-13(5-6-15-16(17)22(36)35-31-15)20-29-21(18(32-34-20)11-7-9-27-10-8-11)28-19-12-3-1-2-4-14(12)30-33-19;23-15-9-17-14(21(33)32-30-17)8-13(15)19-25-18(11-4-3-7-24-10-11)26-22(27-19)28-20-12-5-1-2-6-16(12)29-31-20;23-22(24,25)14-8-16-13(20(35)34-32-16)7-12(14)19-28-18(11-3-5-26-6-4-11)29-21(30-19)27-17-9-15(31-33-17)10-1-2-10;1-3-11-12(8-9-15-16(11)19(29)27-26-15)17-22-14-7-5-4-6-13(14)18(23-17)24-20-21-10(2)25-28-20/h1-6,11,27H,7-10H2,(H2,31,35,36)(H2,28,29,30,33,34);1-10H,(H2,30,32,33)(H2,25,26,27,28,29,31);3-10H,1-2H2,(H2,32,34,35)(H2,27,28,29,30,31,33);1,4-9H,2H3,(H2,26,27,29)(H2,21,22,23,24,25,28).

What are the key properties of 6-chloro-5-[4-(1H-indazol-3-ylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-ethynyl-5-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[5-(1H-indazol-3-ylamino)-6-piperidin-4-yl-1,2,4-triazin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one?

6-chloro-5-[4-(1H-indazol-3-ylamino)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-ethynyl-5-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[5-(1H-indazol-3-ylamino)-6-piperidin-4-yl-1,2,4-triazin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one has a molecular weight of 1813.15 g/mol, XLogP of 14.61, 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)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;4-ethynyl-5-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]-1,2-dihydroindazol-3-one;5-[5-(1H-indazol-3-ylamino)-6-piperidin-4-yl-1,2,4-triazin-3-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one is sourced from PubChem (CID 158781415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).