5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(cyclopropylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[5-(dimethylamino)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(5-morpholin-4-yl-3-pyridinyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-phenoxyphenyl)indazol-1-yl]-1,2-thiazol-3-one

C120H98F2N28O18S6 — CID 159046786

About 5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(cyclopropylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[5-(dimethylamino)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(5-morpholin-4-yl-3-pyridinyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-phenoxyphenyl)indazol-1-yl]-1,2-thiazol-3-one

5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(cyclopropylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[5-(dimethylamino)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(5-morpholin-4-yl-3-pyridinyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-phenoxyphenyl)indazol-1-yl]-1,2-thiazol-3-one (PubChem CID 159046786) has the molecular formula C120H98F2N28O18S6 and a molecular weight of 2450.68 g/mol. Its IUPAC name is 5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(cyclopropylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[5-(dimethylamino)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(5-morpholin-4-yl-3-pyridinyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-phenoxyphenyl)indazol-1-yl]-1,2-thiazol-3-one.

Molecular Properties

• Compound Name: 5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(cyclopropylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[5-(dimethylamino)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(5-morpholin-4-yl-3-pyridinyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-phenoxyphenyl)indazol-1-yl]-1,2-thiazol-3-one
• PubChem CID: 159046786
• Molecular Formula: C120H98F2N28O18S6
• Molecular Weight: 2450.68 g/mol
• Exact Mass: 2448.59
• IUPAC Name: 5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(cyclopropylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[5-(dimethylamino)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(5-morpholin-4-yl-3-pyridinyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-phenoxyphenyl)indazol-1-yl]-1,2-thiazol-3-one
• SMILES: CN(C)c1cncc(-c2ccc3c(cnn3C3=CC(=O)NS3=O)c2)c1.O=C1C=C(n2ncc3cc(-c4ccc(Oc5ccccc5)cc4)ccc32)S(=O)N1.O=C1C=C(n2ncc3cc(-c4cnc5c(c4)OCCN5C(=O)C4CC4(F)F)ccc32)S(=O)N1.O=C1C=C(n2ncc3cc(-c4cnc5c(c4)OCCN5C4CC4)ccc32)S(=O)N1.O=C1C=C(n2ncc3cc(-c4cnc5c(c4)OCCN5CC4CC4)ccc32)S(=O)N1.O=C1C=C(n2ncc3cc(-c4cncc(N5CCOCC5)c4)ccc32)S(=O)N1
• InChI: InChI=1S/C22H15N3O3S.C21H15F2N5O4S.C21H19N5O3S.C20H17N5O3S.C19H17N5O3S.C17H15N5O2S/c26-21-13-22(29(27)24-21)25-20-11-8-16(12-17(20)14-23-25)15-6-9-19(10-7-15)28-18-4-2-1-3-5-18;22-21(23)8-14(21)20(30)27-3-4-32-16-6-12(9-24-19(16)27)11-1-2-15-13(5-11)10-25-28(15)18-7-17(29)26-33(18)31;27-19-9-20(30(28)24-19)26-17-4-3-14(7-16(17)11-23-26)15-8-18-21(22-10-15)25(5-6-29-18)12-13-1-2-13;26-18-9-19(29(27)23-18)25-16-4-1-12(7-14(16)11-22-25)13-8-17-20(21-10-13)24(5-6-28-17)15-2-3-15;25-18-9-19(28(26)22-18)24-17-2-1-13(7-15(17)11-21-24)14-8-16(12-20-10-14)23-3-5-27-6-4-23;1-21(2)14-6-12(8-18-10-14)11-3-4-15-13(5-11)9-19-22(15)17-7-16(23)20-25(17)24/h1-14H,(H,24,26);1-2,5-7,9-10,14H,3-4,8H2,(H,26,29);3-4,7-11,13H,1-2,5-6,12H2,(H,24,27);1,4,7-11,15H,2-3,5-6H2,(H,23,26);1-2,7-12H,3-6H2,(H,22,25);3-10H,1-2H3,(H,20,23)
• InChIKey: JWTJLHNGAUFWIZ-UHFFFAOYSA-N
• XLogP: 13.79
• TPSA: 527.81 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 20
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2450.68
LogP ≤ 5	13.79
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(cyclopropylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[5-(dimethylamino)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(5-morpholin-4-yl-3-pyridinyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-phenoxyphenyl)indazol-1-yl]-1,2-thiazol-3-one?

The IUPAC name of 5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(cyclopropylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[5-(dimethylamino)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(5-morpholin-4-yl-3-pyridinyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-phenoxyphenyl)indazol-1-yl]-1,2-thiazol-3-one (CID 159046786) is 5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(cyclopropylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[5-(dimethylamino)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(5-morpholin-4-yl-3-pyridinyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-phenoxyphenyl)indazol-1-yl]-1,2-thiazol-3-one.

What is the SMILES notation for 5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(cyclopropylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[5-(dimethylamino)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(5-morpholin-4-yl-3-pyridinyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-phenoxyphenyl)indazol-1-yl]-1,2-thiazol-3-one?

The canonical SMILES for 5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(cyclopropylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[5-(dimethylamino)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(5-morpholin-4-yl-3-pyridinyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-phenoxyphenyl)indazol-1-yl]-1,2-thiazol-3-one is CN(C)c1cncc(-c2ccc3c(cnn3C3=CC(=O)NS3=O)c2)c1.O=C1C=C(n2ncc3cc(-c4ccc(Oc5ccccc5)cc4)ccc32)S(=O)N1.O=C1C=C(n2ncc3cc(-c4cnc5c(c4)OCCN5C(=O)C4CC4(F)F)ccc32)S(=O)N1.O=C1C=C(n2ncc3cc(-c4cnc5c(c4)OCCN5C4CC4)ccc32)S(=O)N1.O=C1C=C(n2ncc3cc(-c4cnc5c(c4)OCCN5CC4CC4)ccc32)S(=O)N1.O=C1C=C(n2ncc3cc(-c4cncc(N5CCOCC5)c4)ccc32)S(=O)N1.

What is the InChIKey of 5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(cyclopropylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[5-(dimethylamino)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(5-morpholin-4-yl-3-pyridinyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-phenoxyphenyl)indazol-1-yl]-1,2-thiazol-3-one?

The InChIKey is JWTJLHNGAUFWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O3S.C21H15F2N5O4S.C21H19N5O3S.C20H17N5O3S.C19H17N5O3S.C17H15N5O2S/c26-21-13-22(29(27)24-21)25-20-11-8-16(12-17(20)14-23-25)15-6-9-19(10-7-15)28-18-4-2-1-3-5-18;22-21(23)8-14(21)20(30)27-3-4-32-16-6-12(9-24-19(16)27)11-1-2-15-13(5-11)10-25-28(15)18-7-17(29)26-33(18)31;27-19-9-20(30(28)24-19)26-17-4-3-14(7-16(17)11-23-26)15-8-18-21(22-10-15)25(5-6-29-18)12-13-1-2-13;26-18-9-19(29(27)23-18)25-16-4-1-12(7-14(16)11-22-25)13-8-17-20(21-10-13)24(5-6-28-17)15-2-3-15;25-18-9-19(28(26)22-18)24-17-2-1-13(7-15(17)11-21-24)14-8-16(12-20-10-14)23-3-5-27-6-4-23;1-21(2)14-6-12(8-18-10-14)11-3-4-15-13(5-11)9-19-22(15)17-7-16(23)20-25(17)24/h1-14H,(H,24,26);1-2,5-7,9-10,14H,3-4,8H2,(H,26,29);3-4,7-11,13H,1-2,5-6,12H2,(H,24,27);1,4,7-11,15H,2-3,5-6H2,(H,23,26);1-2,7-12H,3-6H2,(H,22,25);3-10H,1-2H3,(H,20,23).

What are the key properties of 5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(cyclopropylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[5-(dimethylamino)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(5-morpholin-4-yl-3-pyridinyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-phenoxyphenyl)indazol-1-yl]-1,2-thiazol-3-one?

5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(cyclopropylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[5-(dimethylamino)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(5-morpholin-4-yl-3-pyridinyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-phenoxyphenyl)indazol-1-yl]-1,2-thiazol-3-one has a molecular weight of 2450.68 g/mol, XLogP of 13.79, 20 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(4-cyclopropyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(cyclopropylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2,2-difluorocyclopropanecarbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[5-(dimethylamino)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(5-morpholin-4-yl-3-pyridinyl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(4-phenoxyphenyl)indazol-1-yl]-1,2-thiazol-3-one is sourced from PubChem (CID 159046786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).