6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-8-methylquinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[8-methyl-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;3-[[2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one

C96H60ClF10N31O9 — CID 161235981

IUPAC6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-8-methylquinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[8-methyl-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;3-[[2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCc1cccc2c(Nc3cc(-c4ccccc4)[nH]n3)nc(-c3ccc4[nH][nH]c(=O)c4c3OC(F)(F)F)nc12.Cc1cccc2c(Nc3cc(-c4ccco4)[nH]n3)nc(-c3ccc4[nH][nH]c(=O)c4c3OC(F)(F)F)nc12.O=c1[nH][nH]c2cc(Cl)c(-c3nc(Nc4n[nH]c5ccc(F)cc45)c4cnoc4n3)cc12.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c5cc(=O)n(-c6ccccc6)nc45)c4ccccc4n3)c(C(F)(F)F)c12
InChIInChI=1S/C27H16F3N9O2.C26H18F3N7O2.C24H16F3N7O3.C19H10ClFN8O2/c28-27(29,30)21-15(10-11-17-20(21)26(41)37-34-17)24-31-16-9-5-4-8-14(16)23(32-24)33-25-22-18(35-36-25)12-19(40)39(38-22)13-6-2-1-3-7-13;1-13-6-5-9-15-21(13)31-24(16-10-11-17-20(25(37)36-33-17)22(16)38-26(27,28)29)32-23(15)30-19-12-18(34-35-19)14-7-3-2-4-8-14;1-11-4-2-5-12-19(11)29-22(30-21(12)28-17-10-15(32-33-17)16-6-3-9-36-16)13-7-8-14-18(23(35)34-31-14)20(13)37-24(25,26)27;20-12-5-14-10(18(30)29-27-14)4-8(12)15-23-16(11-6-22-31-19(11)25-15)24-17-9-3-7(21)1-2-13(9)26-28-17/h1-12,35H,(H2,34,37,41)(H,31,32,33,36);2-12H,1H3,(H2,33,36,37)(H2,30,31,32,34,35);2-10H,1H3,(H2,31,34,35)(H2,28,29,30,32,33);1-6H,(H2,27,29,30)(H2,23,24,25,26,28)
InChIKeyUZJKYEMQRCWJQE-UHFFFAOYSA-N
MW2017.18 g/mol
LogP19.73
Rot. Bonds17

About 6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-8-methylquinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[8-methyl-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;3-[[2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one

6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-8-methylquinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[8-methyl-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;3-[[2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 161235981) has the molecular formula C96H60ClF10N31O9 and a molecular weight of 2017.18 g/mol. Its IUPAC name is 6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-8-methylquinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[8-methyl-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;3-[[2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-8-methylquinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[8-methyl-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;3-[[2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one
PubChem CID161235981
Molecular FormulaC96H60ClF10N31O9
Molecular Weight2017.18 g/mol
Exact Mass2015.47
IUPAC Name6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-8-methylquinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[8-methyl-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;3-[[2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCc1cccc2c(Nc3cc(-c4ccccc4)[nH]n3)nc(-c3ccc4[nH][nH]c(=O)c4c3OC(F)(F)F)nc12.Cc1cccc2c(Nc3cc(-c4ccco4)[nH]n3)nc(-c3ccc4[nH][nH]c(=O)c4c3OC(F)(F)F)nc12.O=c1[nH][nH]c2cc(Cl)c(-c3nc(Nc4n[nH]c5ccc(F)cc45)c4cnoc4n3)cc12.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c5cc(=O)n(-c6ccccc6)nc45)c4ccccc4n3)c(C(F)(F)F)c12
InChIInChI=1S/C27H16F3N9O2.C26H18F3N7O2.C24H16F3N7O3.C19H10ClFN8O2/c28-27(29,30)21-15(10-11-17-20(21)26(41)37-34-17)24-31-16-9-5-4-8-14(16)23(32-24)33-25-22-18(35-36-25)12-19(40)39(38-22)13-6-2-1-3-7-13;1-13-6-5-9-15-21(13)31-24(16-10-11-17-20(25(37)36-33-17)22(16)38-26(27,28)29)32-23(15)30-19-12-18(34-35-19)14-7-3-2-4-8-14;1-11-4-2-5-12-19(11)29-22(30-21(12)28-17-10-15(32-33-17)16-6-3-9-36-16)13-7-8-14-18(23(35)34-31-14)20(13)37-24(25,26)27;20-12-5-14-10(18(30)29-27-14)4-8(12)15-23-16(11-6-22-31-19(11)25-15)24-17-9-3-7(21)1-2-13(9)26-28-17/h1-12,35H,(H2,34,37,41)(H,31,32,33,36);2-12H,1H3,(H2,33,36,37)(H2,30,31,32,34,35);2-10H,1H3,(H2,31,34,35)(H2,28,29,30,32,33);1-6H,(H2,27,29,30)(H2,23,24,25,26,28)
InChIKeyUZJKYEMQRCWJQE-UHFFFAOYSA-N
XLogP19.73
TPSA553.08 Ų
H-Bond Donors16
H-Bond Acceptors28
Rotatable Bonds17
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002017.18
LogP ≤ 519.73
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1028

Analyze 6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-8-methylquinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[8-methyl-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;3-[[2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;8-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;5-fluoro-N-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine
CID 160956276

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-8-methylquinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[8-methyl-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;3-[[2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-8-methylquinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[8-methyl-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;3-[[2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one (CID 161235981) is 6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-8-methylquinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[8-methyl-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;3-[[2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one.
What is the SMILES notation for 6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-8-methylquinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[8-methyl-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;3-[[2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-8-methylquinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[8-methyl-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;3-[[2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one is Cc1cccc2c(Nc3cc(-c4ccccc4)[nH]n3)nc(-c3ccc4[nH][nH]c(=O)c4c3OC(F)(F)F)nc12.Cc1cccc2c(Nc3cc(-c4ccco4)[nH]n3)nc(-c3ccc4[nH][nH]c(=O)c4c3OC(F)(F)F)nc12.O=c1[nH][nH]c2cc(Cl)c(-c3nc(Nc4n[nH]c5ccc(F)cc45)c4cnoc4n3)cc12.O=c1[nH][nH]c2ccc(-c3nc(Nc4n[nH]c5cc(=O)n(-c6ccccc6)nc45)c4ccccc4n3)c(C(F)(F)F)c12.
What is the InChIKey of 6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-8-methylquinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[8-methyl-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;3-[[2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is UZJKYEMQRCWJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16F3N9O2.C26H18F3N7O2.C24H16F3N7O3.C19H10ClFN8O2/c28-27(29,30)21-15(10-11-17-20(21)26(41)37-34-17)24-31-16-9-5-4-8-14(16)23(32-24)33-25-22-18(35-36-25)12-19(40)39(38-22)13-6-2-1-3-7-13;1-13-6-5-9-15-21(13)31-24(16-10-11-17-20(25(37)36-33-17)22(16)38-26(27,28)29)32-23(15)30-19-12-18(34-35-19)14-7-3-2-4-8-14;1-11-4-2-5-12-19(11)29-22(30-21(12)28-17-10-15(32-33-17)16-6-3-9-36-16)13-7-8-14-18(23(35)34-31-14)20(13)37-24(25,26)27;20-12-5-14-10(18(30)29-27-14)4-8(12)15-23-16(11-6-22-31-19(11)25-15)24-17-9-3-7(21)1-2-13(9)26-28-17/h1-12,35H,(H2,34,37,41)(H,31,32,33,36);2-12H,1H3,(H2,33,36,37)(H2,30,31,32,34,35);2-10H,1H3,(H2,31,34,35)(H2,28,29,30,32,33);1-6H,(H2,27,29,30)(H2,23,24,25,26,28).
What are the key properties of 6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-8-methylquinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[8-methyl-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;3-[[2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one?
6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-8-methylquinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[8-methyl-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;3-[[2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 2017.18 g/mol, XLogP of 19.73, 17 rotatable bonds, 16 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[4-[(5-fluoro-1H-indazol-3-yl)amino]-[1,2]oxazolo[5,4-d]pyrimidin-6-yl]-1,2-dihydroindazol-3-one;5-[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]-8-methylquinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;5-[8-methyl-4-[(5-phenyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-4-(trifluoromethoxy)-1,2-dihydroindazol-3-one;3-[[2-[3-oxo-4-(trifluoromethyl)-1,2-dihydroindazol-5-yl]quinazolin-4-yl]amino]-5-phenyl-1H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 161235981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).