6-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-yl]-5-phenylpyrazolidin-3-imine;5-phenyl-3-[[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]-1H-pyrazolo[4,3-c]pyridazin-6-one

C92H63ClF10N24O3 — CID 159020305

IUPAC6-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-yl]-5-phenylpyrazolidin-3-imine;5-phenyl-3-[[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCc1cc(C)c2c(Nc3nc(-c4ccccc4C(F)(F)F)nc4ccccc34)n[nH]c2n1.Cc1cccc2c(/N=C3\CC(c4ccccc4)NN3)nc(-c3ccccc3OC(F)(F)F)nc12.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)nc4oncc34)c2c1.O=c1cc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4ccccc34)c2nn1-c1ccccc1
InChIInChI=1S/C26H16F3N7O.C25H20F3N5O.C23H17F3N6.C18H10ClFN6O/c27-26(28,29)18-12-6-4-10-16(18)23-30-19-13-7-5-11-17(19)24(31-23)32-25-22-20(33-34-25)14-21(37)36(35-22)15-8-2-1-3-9-15;1-15-8-7-12-18-22(15)30-23(17-11-5-6-13-20(17)34-25(26,27)28)31-24(18)29-21-14-19(32-33-21)16-9-3-2-4-10-16;1-12-11-13(2)27-21-18(12)22(32-31-21)30-20-15-8-4-6-10-17(15)28-19(29-20)14-7-3-5-9-16(14)23(24,25)26;19-13-4-2-1-3-10(13)15-22-16(12-8-21-27-18(12)24-15)23-17-11-7-9(20)5-6-14(11)25-26-17/h1-14,33H,(H,30,31,32,34);2-13,19,32H,14H2,1H3,(H,29,30,31,33);3-11H,1-2H3,(H2,27,28,29,30,31,32);1-8H,(H2,22,23,24,25,26)
InChIKeyJTPKAWQMIYAYSJ-UHFFFAOYSA-N
MW1778.11 g/mol
LogP21.90
Rot. Bonds14

About 6-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-yl]-5-phenylpyrazolidin-3-imine;5-phenyl-3-[[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]-1H-pyrazolo[4,3-c]pyridazin-6-one

6-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-yl]-5-phenylpyrazolidin-3-imine;5-phenyl-3-[[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]-1H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 159020305) has the molecular formula C92H63ClF10N24O3 and a molecular weight of 1778.11 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-yl]-5-phenylpyrazolidin-3-imine;5-phenyl-3-[[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]-1H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-yl]-5-phenylpyrazolidin-3-imine;5-phenyl-3-[[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]-1H-pyrazolo[4,3-c]pyridazin-6-one
PubChem CID159020305
Molecular FormulaC92H63ClF10N24O3
Molecular Weight1778.11 g/mol
Exact Mass1776.50
IUPAC Name6-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-yl]-5-phenylpyrazolidin-3-imine;5-phenyl-3-[[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCc1cc(C)c2c(Nc3nc(-c4ccccc4C(F)(F)F)nc4ccccc34)n[nH]c2n1.Cc1cccc2c(/N=C3\CC(c4ccccc4)NN3)nc(-c3ccccc3OC(F)(F)F)nc12.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)nc4oncc34)c2c1.O=c1cc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4ccccc34)c2nn1-c1ccccc1
InChIInChI=1S/C26H16F3N7O.C25H20F3N5O.C23H17F3N6.C18H10ClFN6O/c27-26(28,29)18-12-6-4-10-16(18)23-30-19-13-7-5-11-17(19)24(31-23)32-25-22-20(33-34-25)14-21(37)36(35-22)15-8-2-1-3-9-15;1-15-8-7-12-18-22(15)30-23(17-11-5-6-13-20(17)34-25(26,27)28)31-24(18)29-21-14-19(32-33-21)16-9-3-2-4-10-16;1-12-11-13(2)27-21-18(12)22(32-31-21)30-20-15-8-4-6-10-17(15)28-19(29-20)14-7-3-5-9-16(14)23(24,25)26;19-13-4-2-1-3-10(13)15-22-16(12-8-21-27-18(12)24-15)23-17-11-7-9(20)5-6-14(11)25-26-17/h1-14,33H,(H,30,31,32,34);2-13,19,32H,14H2,1H3,(H,29,30,31,33);3-11H,1-2H3,(H2,27,28,29,30,31,32);1-8H,(H2,22,23,24,25,26)
InChIKeyJTPKAWQMIYAYSJ-UHFFFAOYSA-N
XLogP21.90
TPSA344.71 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds14
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001778.11
LogP ≤ 521.90
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-yl]-5-phenylpyrazolidin-3-imine;5-phenyl-3-[[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]-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-1,2,4-triazol-3-yl)pyrido[2,3-d]pyrimidin-4-amine;N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;8-ethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine;N-(1H-1,2,4-triazol-5-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 161285117

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-yl]-5-phenylpyrazolidin-3-imine;5-phenyl-3-[[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]-1H-pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 6-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-yl]-5-phenylpyrazolidin-3-imine;5-phenyl-3-[[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]-1H-pyrazolo[4,3-c]pyridazin-6-one (CID 159020305) is 6-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-yl]-5-phenylpyrazolidin-3-imine;5-phenyl-3-[[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]-1H-pyrazolo[4,3-c]pyridazin-6-one.
What is the SMILES notation for 6-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-yl]-5-phenylpyrazolidin-3-imine;5-phenyl-3-[[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]-1H-pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 6-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-yl]-5-phenylpyrazolidin-3-imine;5-phenyl-3-[[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]-1H-pyrazolo[4,3-c]pyridazin-6-one is Cc1cc(C)c2c(Nc3nc(-c4ccccc4C(F)(F)F)nc4ccccc34)n[nH]c2n1.Cc1cccc2c(/N=C3\CC(c4ccccc4)NN3)nc(-c3ccccc3OC(F)(F)F)nc12.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4Cl)nc4oncc34)c2c1.O=c1cc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)nc4ccccc34)c2nn1-c1ccccc1.
What is the InChIKey of 6-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-yl]-5-phenylpyrazolidin-3-imine;5-phenyl-3-[[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]-1H-pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is JTPKAWQMIYAYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F3N7O.C25H20F3N5O.C23H17F3N6.C18H10ClFN6O/c27-26(28,29)18-12-6-4-10-16(18)23-30-19-13-7-5-11-17(19)24(31-23)32-25-22-20(33-34-25)14-21(37)36(35-22)15-8-2-1-3-9-15;1-15-8-7-12-18-22(15)30-23(17-11-5-6-13-20(17)34-25(26,27)28)31-24(18)29-21-14-19(32-33-21)16-9-3-2-4-10-16;1-12-11-13(2)27-21-18(12)22(32-31-21)30-20-15-8-4-6-10-17(15)28-19(29-20)14-7-3-5-9-16(14)23(24,25)26;19-13-4-2-1-3-10(13)15-22-16(12-8-21-27-18(12)24-15)23-17-11-7-9(20)5-6-14(11)25-26-17/h1-14,33H,(H,30,31,32,34);2-13,19,32H,14H2,1H3,(H,29,30,31,33);3-11H,1-2H3,(H2,27,28,29,30,31,32);1-8H,(H2,22,23,24,25,26).
What are the key properties of 6-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-yl]-5-phenylpyrazolidin-3-imine;5-phenyl-3-[[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]-1H-pyrazolo[4,3-c]pyridazin-6-one?
6-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-yl]-5-phenylpyrazolidin-3-imine;5-phenyl-3-[[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]-1H-pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 1778.11 g/mol, XLogP of 21.90, 14 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-(5-fluoro-1H-indazol-3-yl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine;N-(4,6-dimethyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;N-[8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-yl]-5-phenylpyrazolidin-3-imine;5-phenyl-3-[[2-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]amino]-1H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 159020305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).