5-[5-[1-(2-cyclohexylacetyl)piperidin-4-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2-methylpropyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)indazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]indazol-1-yl]-1,2-thiazol-3-one

C100H94N24O14S5 — CID 157162007

About 5-[5-[1-(2-cyclohexylacetyl)piperidin-4-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2-methylpropyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)indazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]indazol-1-yl]-1,2-thiazol-3-one

5-[5-[1-(2-cyclohexylacetyl)piperidin-4-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2-methylpropyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)indazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]indazol-1-yl]-1,2-thiazol-3-one (PubChem CID 157162007) has the molecular formula C100H94N24O14S5 and a molecular weight of 2016.34 g/mol. Its IUPAC name is 5-[5-[1-(2-cyclohexylacetyl)piperidin-4-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2-methylpropyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)indazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]indazol-1-yl]-1,2-thiazol-3-one.

Molecular Properties

• Compound Name: 5-[5-[1-(2-cyclohexylacetyl)piperidin-4-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2-methylpropyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)indazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]indazol-1-yl]-1,2-thiazol-3-one
• PubChem CID: 157162007
• Molecular Formula: C100H94N24O14S5
• Molecular Weight: 2016.34 g/mol
• Exact Mass: 2014.60
• IUPAC Name: 5-[5-[1-(2-cyclohexylacetyl)piperidin-4-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2-methylpropyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)indazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]indazol-1-yl]-1,2-thiazol-3-one
• SMILES: CC(C)CN1CCOc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cnc21.CN1CCc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cnc21.O=C1C=C(n2ncc3cc(-c4ccc(C(=O)N5CCCC5)nc4)ccc32)S(=O)N1.O=C1C=C(n2ncc3cc(-c4cnc5c(c4)CCC(=O)N5)ccc32)S(=O)N1.O=C1C=C(n2ncc3cc(C4CCN(C(=O)CC5CCCCC5)CC4)ccc32)S(=O)N1
• InChI: InChI=1S/C23H28N4O3S.C21H21N5O3S.C20H17N5O3S.C18H13N5O3S.C18H15N5O2S/c28-21-14-23(31(30)25-21)27-20-7-6-18(13-19(20)15-24-27)17-8-10-26(11-9-17)22(29)12-16-4-2-1-3-5-16;1-13(2)12-25-5-6-29-18-8-15(10-22-21(18)25)14-3-4-17-16(7-14)11-23-26(17)20-9-19(27)24-30(20)28;26-18-10-19(29(28)23-18)25-17-6-4-13(9-15(17)12-22-25)14-3-5-16(21-11-14)20(27)24-7-1-2-8-24;24-15-4-2-11-6-12(8-19-18(11)21-15)10-1-3-14-13(5-10)9-20-23(14)17-7-16(25)22-27(17)26;1-22-5-4-12-7-13(9-19-18(12)22)11-2-3-15-14(6-11)10-20-23(15)17-8-16(24)21-26(17)25/h6-7,13-17H,1-5,8-12H2,(H,25,28);3-4,7-11,13H,5-6,12H2,1-2H3,(H,24,27);3-6,9-12H,1-2,7-8H2,(H,23,26);1,3,5-9H,2,4H2,(H,22,25)(H,19,21,24);2-3,6-10H,4-5H2,1H3,(H,21,24)
• InChIKey: AMMIHSTUWCVDLF-UHFFFAOYSA-N
• XLogP: 11.03
• TPSA: 456.94 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 15
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2016.34
LogP ≤ 5	11.03
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-(2-cyclohexylacetyl)piperidin-4-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2-methylpropyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)indazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]indazol-1-yl]-1,2-thiazol-3-one?

The IUPAC name of 5-[5-[1-(2-cyclohexylacetyl)piperidin-4-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2-methylpropyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)indazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]indazol-1-yl]-1,2-thiazol-3-one (CID 157162007) is 5-[5-[1-(2-cyclohexylacetyl)piperidin-4-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2-methylpropyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)indazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]indazol-1-yl]-1,2-thiazol-3-one.

What is the SMILES notation for 5-[5-[1-(2-cyclohexylacetyl)piperidin-4-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2-methylpropyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)indazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]indazol-1-yl]-1,2-thiazol-3-one?

The canonical SMILES for 5-[5-[1-(2-cyclohexylacetyl)piperidin-4-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2-methylpropyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)indazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]indazol-1-yl]-1,2-thiazol-3-one is CC(C)CN1CCOc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cnc21.CN1CCc2cc(-c3ccc4c(cnn4C4=CC(=O)NS4=O)c3)cnc21.O=C1C=C(n2ncc3cc(-c4ccc(C(=O)N5CCCC5)nc4)ccc32)S(=O)N1.O=C1C=C(n2ncc3cc(-c4cnc5c(c4)CCC(=O)N5)ccc32)S(=O)N1.O=C1C=C(n2ncc3cc(C4CCN(C(=O)CC5CCCCC5)CC4)ccc32)S(=O)N1.

What is the InChIKey of 5-[5-[1-(2-cyclohexylacetyl)piperidin-4-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2-methylpropyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)indazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]indazol-1-yl]-1,2-thiazol-3-one?

The InChIKey is AMMIHSTUWCVDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S.C21H21N5O3S.C20H17N5O3S.C18H13N5O3S.C18H15N5O2S/c28-21-14-23(31(30)25-21)27-20-7-6-18(13-19(20)15-24-27)17-8-10-26(11-9-17)22(29)12-16-4-2-1-3-5-16;1-13(2)12-25-5-6-29-18-8-15(10-22-21(18)25)14-3-4-17-16(7-14)11-23-26(17)20-9-19(27)24-30(20)28;26-18-10-19(29(28)23-18)25-17-6-4-13(9-15(17)12-22-25)14-3-5-16(21-11-14)20(27)24-7-1-2-8-24;24-15-4-2-11-6-12(8-19-18(11)21-15)10-1-3-14-13(5-10)9-20-23(14)17-7-16(25)22-27(17)26;1-22-5-4-12-7-13(9-19-18(12)22)11-2-3-15-14(6-11)10-20-23(15)17-8-16(24)21-26(17)25/h6-7,13-17H,1-5,8-12H2,(H,25,28);3-4,7-11,13H,5-6,12H2,1-2H3,(H,24,27);3-6,9-12H,1-2,7-8H2,(H,23,26);1,3,5-9H,2,4H2,(H,22,25)(H,19,21,24);2-3,6-10H,4-5H2,1H3,(H,21,24).

What are the key properties of 5-[5-[1-(2-cyclohexylacetyl)piperidin-4-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2-methylpropyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)indazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]indazol-1-yl]-1,2-thiazol-3-one?

5-[5-[1-(2-cyclohexylacetyl)piperidin-4-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2-methylpropyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)indazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]indazol-1-yl]-1,2-thiazol-3-one has a molecular weight of 2016.34 g/mol, XLogP of 11.03, 15 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[1-(2-cyclohexylacetyl)piperidin-4-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one;5-[5-[4-(2-methylpropyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one;1-oxo-5-[5-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)indazol-1-yl]-1,2-thiazol-3-one;1-oxo-5-[5-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]indazol-1-yl]-1,2-thiazol-3-one is sourced from PubChem (CID 157162007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).