5-[3-cyclopropyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;2-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-5-yl]-5-methylpyrimido[4,5-b][1,4]oxazin-6-one

C91H73N25O17S5 — CID 157289707

About 5-[3-cyclopropyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;2-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-5-yl]-5-methylpyrimido[4,5-b][1,4]oxazin-6-one

5-[3-cyclopropyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;2-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-5-yl]-5-methylpyrimido[4,5-b][1,4]oxazin-6-one (PubChem CID 157289707) has the molecular formula C91H73N25O17S5 and a molecular weight of 1949.08 g/mol. Its IUPAC name is 5-[3-cyclopropyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;2-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-5-yl]-5-methylpyrimido[4,5-b][1,4]oxazin-6-one.

Molecular Properties

• Compound Name: 5-[3-cyclopropyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;2-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-5-yl]-5-methylpyrimido[4,5-b][1,4]oxazin-6-one
• PubChem CID: 157289707
• Molecular Formula: C91H73N25O17S5
• Molecular Weight: 1949.08 g/mol
• Exact Mass: 1947.42
• IUPAC Name: 5-[3-cyclopropyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;2-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-5-yl]-5-methylpyrimido[4,5-b][1,4]oxazin-6-one
• SMILES: CC1(C)COc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cnc2N1.CN1C(=O)COc2nc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)ncc21.CN1CCOc2cc(-c3ccc4c(c3)c(C3CC3)nn4C3=CC(=O)NS3=O)cnc21.O=C1C=C(n2ncc3cc(-c4cc5c(cn4)NCCO5)ccc32)S(=O)N1.O=C1C=C(n2ncc3cc(-c4cnc5c(c4)OCCO5)ccc32)S(=O)N1
• InChI: InChI=1S/C21H19N5O3S.C19H17N5O3S.C17H12N6O4S.C17H13N5O3S.C17H12N4O4S/c1-25-6-7-29-17-9-14(11-22-21(17)25)13-4-5-16-15(8-13)20(12-2-3-12)23-26(16)19-10-18(27)24-30(19)28;1-19(2)10-27-15-6-12(8-20-18(15)22-19)11-3-4-14-13(5-11)9-21-24(14)17-7-16(25)23-28(17)26;1-22-12-7-18-16(20-17(12)27-8-14(22)25)9-2-3-11-10(4-9)6-19-23(11)15-5-13(24)21-28(15)26;23-16-7-17(26(24)21-16)22-14-2-1-10(5-11(14)8-20-22)12-6-15-13(9-19-12)18-3-4-25-15;22-15-7-16(26(23)20-15)21-13-2-1-10(5-12(13)9-19-21)11-6-14-17(18-8-11)25-4-3-24-14/h4-5,8-12H,2-3,6-7H2,1H3,(H,24,27);3-9H,10H2,1-2H3,(H,20,22)(H,23,25);2-7H,8H2,1H3,(H,21,24);1-2,5-9,18H,3-4H2,(H,21,23);1-2,5-9H,3-4H2,(H,20,22)
• InChIKey: BAQRCRDUFONHLP-UHFFFAOYSA-N
• XLogP: 8.07
• TPSA: 500.28 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 11
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1949.08
LogP ≤ 5	8.07
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclopropyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;2-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-5-yl]-5-methylpyrimido[4,5-b][1,4]oxazin-6-one?

The IUPAC name of 5-[3-cyclopropyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;2-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-5-yl]-5-methylpyrimido[4,5-b][1,4]oxazin-6-one (CID 157289707) is 5-[3-cyclopropyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;2-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-5-yl]-5-methylpyrimido[4,5-b][1,4]oxazin-6-one.

What is the SMILES notation for 5-[3-cyclopropyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;2-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-5-yl]-5-methylpyrimido[4,5-b][1,4]oxazin-6-one?

The canonical SMILES for 5-[3-cyclopropyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;2-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-5-yl]-5-methylpyrimido[4,5-b][1,4]oxazin-6-one is CC1(C)COc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cnc2N1.CN1C(=O)COc2nc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)ncc21.CN1CCOc2cc(-c3ccc4c(c3)c(C3CC3)nn4C3=CC(=O)NS3=O)cnc21.O=C1C=C(n2ncc3cc(-c4cc5c(cn4)NCCO5)ccc32)S(=O)N1.O=C1C=C(n2ncc3cc(-c4cnc5c(c4)OCCO5)ccc32)S(=O)N1.

What is the InChIKey of 5-[3-cyclopropyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;2-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-5-yl]-5-methylpyrimido[4,5-b][1,4]oxazin-6-one?

The InChIKey is BAQRCRDUFONHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S.C19H17N5O3S.C17H12N6O4S.C17H13N5O3S.C17H12N4O4S/c1-25-6-7-29-17-9-14(11-22-21(17)25)13-4-5-16-15(8-13)20(12-2-3-12)23-26(16)19-10-18(27)24-30(19)28;1-19(2)10-27-15-6-12(8-20-18(15)22-19)11-3-4-14-13(5-11)9-21-24(14)17-7-16(25)23-28(17)26;1-22-12-7-18-16(20-17(12)27-8-14(22)25)9-2-3-11-10(4-9)6-19-23(11)15-5-13(24)21-28(15)26;23-16-7-17(26(24)21-16)22-14-2-1-10(5-11(14)8-20-22)12-6-15-13(9-19-12)18-3-4-25-15;22-15-7-16(26(23)20-15)21-13-2-1-10(5-12(13)9-19-21)11-6-14-17(18-8-11)25-4-3-24-14/h4-5,8-12H,2-3,6-7H2,1H3,(H,24,27);3-9H,10H2,1-2H3,(H,20,22)(H,23,25);2-7H,8H2,1H3,(H,21,24);1-2,5-9,18H,3-4H2,(H,21,23);1-2,5-9H,3-4H2,(H,20,22).

What are the key properties of 5-[3-cyclopropyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;2-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-5-yl]-5-methylpyrimido[4,5-b][1,4]oxazin-6-one?

5-[3-cyclopropyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;2-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-5-yl]-5-methylpyrimido[4,5-b][1,4]oxazin-6-one has a molecular weight of 1949.08 g/mol, XLogP of 8.07, 11 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-cyclopropyl-5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(3,3-dimethyl-2,4-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;2-[1-(1,3-dioxo-1,2-thiazol-5-yl)indazol-5-yl]-5-methylpyrimido[4,5-b][1,4]oxazin-6-one is sourced from PubChem (CID 157289707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).