5-(6-bromoindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(4-bromo-6-methoxyindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-chloroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-fluoroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-[5-(3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one

C79H60Br2ClFN22O15S6 — CID 158891387

IUPAC5-(6-bromoindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(4-bromo-6-methoxyindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-chloroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-fluoroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-[5-(3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one
SMILESCC(C)N1CCOc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cnc21.CC1COc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cnc2N1.COc1cc(Br)c2cnn(C3=CC(=O)NS3=O)c2c1.O=C1C=C(n2ncc3cc(Cl)ccc32)S(=O)N1.O=C1C=C(n2ncc3cc(F)ccc32)S(=O)N1.O=C1C=C(n2ncc3ccc(Br)cc32)S(=O)N1
InChIInChI=1S/C20H19N5O3S.C18H15N5O3S.C11H8BrN3O3S.C10H6BrN3O2S.C10H6ClN3O2S.C10H6FN3O2S/c1-12(2)24-5-6-28-17-8-14(10-21-20(17)24)13-3-4-16-15(7-13)11-22-25(16)19-9-18(26)23-29(19)27;1-10-9-26-15-5-12(7-19-18(15)21-10)11-2-3-14-13(4-11)8-20-23(14)17-6-16(24)22-27(17)25;1-18-6-2-8(12)7-5-13-15(9(7)3-6)11-4-10(16)14-19(11)17;11-7-2-1-6-5-12-14(8(6)3-7)10-4-9(15)13-17(10)16;2*11-7-1-2-8-6(3-7)5-12-14(8)10-4-9(15)13-17(10)16/h3-4,7-12H,5-6H2,1-2H3,(H,23,26);2-8,10H,9H2,1H3,(H,19,21)(H,22,24);2-5H,1H3,(H,14,16);3*1-5H,(H,13,15)
InChIKeyJEGYCZLVPGDMQY-UHFFFAOYSA-N
MW1964.15 g/mol
LogP9.02
Rot. Bonds10

About 5-(6-bromoindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(4-bromo-6-methoxyindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-chloroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-fluoroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-[5-(3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one

5-(6-bromoindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(4-bromo-6-methoxyindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-chloroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-fluoroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-[5-(3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one (PubChem CID 158891387) has the molecular formula C79H60Br2ClFN22O15S6 and a molecular weight of 1964.15 g/mol. Its IUPAC name is 5-(6-bromoindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(4-bromo-6-methoxyindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-chloroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-fluoroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-[5-(3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-(6-bromoindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(4-bromo-6-methoxyindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-chloroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-fluoroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-[5-(3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one
PubChem CID158891387
Molecular FormulaC79H60Br2ClFN22O15S6
Molecular Weight1964.15 g/mol
Exact Mass1960.10
IUPAC Name5-(6-bromoindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(4-bromo-6-methoxyindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-chloroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-fluoroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-[5-(3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one
SMILESCC(C)N1CCOc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cnc21.CC1COc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cnc2N1.COc1cc(Br)c2cnn(C3=CC(=O)NS3=O)c2c1.O=C1C=C(n2ncc3cc(Cl)ccc32)S(=O)N1.O=C1C=C(n2ncc3cc(F)ccc32)S(=O)N1.O=C1C=C(n2ncc3ccc(Br)cc32)S(=O)N1
InChIInChI=1S/C20H19N5O3S.C18H15N5O3S.C11H8BrN3O3S.C10H6BrN3O2S.C10H6ClN3O2S.C10H6FN3O2S/c1-12(2)24-5-6-28-17-8-14(10-21-20(17)24)13-3-4-16-15(7-13)11-22-25(16)19-9-18(26)23-29(19)27;1-10-9-26-15-5-12(7-19-18(15)21-10)11-2-3-14-13(4-11)8-20-23(14)17-6-16(24)22-27(17)25;1-18-6-2-8(12)7-5-13-15(9(7)3-6)11-4-10(16)14-19(11)17;11-7-2-1-6-5-12-14(8(6)3-7)10-4-9(15)13-17(10)16;2*11-7-1-2-8-6(3-7)5-12-14(8)10-4-9(15)13-17(10)16/h3-4,7-12H,5-6H2,1-2H3,(H,23,26);2-8,10H,9H2,1H3,(H,19,21)(H,22,24);2-5H,1H3,(H,14,16);3*1-5H,(H,13,15)
InChIKeyJEGYCZLVPGDMQY-UHFFFAOYSA-N
XLogP9.02
TPSA452.68 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds10
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001964.15
LogP ≤ 59.02
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Analyze 5-(6-bromoindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(4-bromo-6-methoxyindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-chloroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-fluoroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-[5-(3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(6-bromoindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(4-bromo-6-methoxyindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-chloroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-fluoroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-[5-(3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one?
The IUPAC name of 5-(6-bromoindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(4-bromo-6-methoxyindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-chloroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-fluoroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-[5-(3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one (CID 158891387) is 5-(6-bromoindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(4-bromo-6-methoxyindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-chloroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-fluoroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-[5-(3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one.
What is the SMILES notation for 5-(6-bromoindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(4-bromo-6-methoxyindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-chloroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-fluoroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-[5-(3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one?
The canonical SMILES for 5-(6-bromoindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(4-bromo-6-methoxyindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-chloroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-fluoroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-[5-(3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one is CC(C)N1CCOc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cnc21.CC1COc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cnc2N1.COc1cc(Br)c2cnn(C3=CC(=O)NS3=O)c2c1.O=C1C=C(n2ncc3cc(Cl)ccc32)S(=O)N1.O=C1C=C(n2ncc3cc(F)ccc32)S(=O)N1.O=C1C=C(n2ncc3ccc(Br)cc32)S(=O)N1.
What is the InChIKey of 5-(6-bromoindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(4-bromo-6-methoxyindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-chloroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-fluoroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-[5-(3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one?
The InChIKey is JEGYCZLVPGDMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S.C18H15N5O3S.C11H8BrN3O3S.C10H6BrN3O2S.C10H6ClN3O2S.C10H6FN3O2S/c1-12(2)24-5-6-28-17-8-14(10-21-20(17)24)13-3-4-16-15(7-13)11-22-25(16)19-9-18(26)23-29(19)27;1-10-9-26-15-5-12(7-19-18(15)21-10)11-2-3-14-13(4-11)8-20-23(14)17-6-16(24)22-27(17)25;1-18-6-2-8(12)7-5-13-15(9(7)3-6)11-4-10(16)14-19(11)17;11-7-2-1-6-5-12-14(8(6)3-7)10-4-9(15)13-17(10)16;2*11-7-1-2-8-6(3-7)5-12-14(8)10-4-9(15)13-17(10)16/h3-4,7-12H,5-6H2,1-2H3,(H,23,26);2-8,10H,9H2,1H3,(H,19,21)(H,22,24);2-5H,1H3,(H,14,16);3*1-5H,(H,13,15).
What are the key properties of 5-(6-bromoindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(4-bromo-6-methoxyindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-chloroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-fluoroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-[5-(3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one?
5-(6-bromoindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(4-bromo-6-methoxyindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-chloroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-fluoroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-[5-(3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one has a molecular weight of 1964.15 g/mol, XLogP of 9.02, 10 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromoindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(4-bromo-6-methoxyindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-chloroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-(5-fluoroindazol-1-yl)-1-oxo-1,2-thiazol-3-one;5-[5-(3-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1,2-thiazol-3-one is sourced from PubChem (CID 158891387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).