tert-butyl 3-[3-[4-[3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-[3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-ethynyl-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 4-[4-[(E)-hydroxyiminomethyl]phenyl]-3,3-dimethylpiperidine-1-carboxylate;3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;formaldehyde;methane

C131H164F4N16O23 — CID 172984404

About tert-butyl 3-[3-[4-[3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-[3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-ethynyl-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 4-[4-[(E)-hydroxyiminomethyl]phenyl]-3,3-dimethylpiperidine-1-carboxylate;3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;formaldehyde;methane

tert-butyl 3-[3-[4-[3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-[3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-ethynyl-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 4-[4-[(E)-hydroxyiminomethyl]phenyl]-3,3-dimethylpiperidine-1-carboxylate;3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;formaldehyde;methane (PubChem CID 172984404) has the molecular formula C131H164F4N16O23 and a molecular weight of 2406.83 g/mol. Its IUPAC name is tert-butyl 3-[3-[4-[3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-[3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-ethynyl-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 4-[4-[(E)-hydroxyiminomethyl]phenyl]-3,3-dimethylpiperidine-1-carboxylate;3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;formaldehyde;methane.

Molecular Properties

• Compound Name: tert-butyl 3-[3-[4-[3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-[3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-ethynyl-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 4-[4-[(E)-hydroxyiminomethyl]phenyl]-3,3-dimethylpiperidine-1-carboxylate;3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;formaldehyde;methane
• PubChem CID: 172984404
• Molecular Formula: C131H164F4N16O23
• Molecular Weight: 2406.83 g/mol
• Exact Mass: 2405.21
• IUPAC Name: tert-butyl 3-[3-[4-[3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-[3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-ethynyl-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 4-[4-[(E)-hydroxyiminomethyl]phenyl]-3,3-dimethylpiperidine-1-carboxylate;3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;formaldehyde;methane
• SMILES: C.C#Cc1nn(C(=O)OC(C)(C)C)c2cc(OCCOC)c(F)cc12.C=O.CC(C)(C)OC(=O)N1CCC(c2ccc(/C=N/O)cc2)C(C)(C)C1.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C5CCNCC5(C)C)cc4)no3)c2cc1F.COCCOc1cc2c(cc1F)c(-c1cc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4(C)C)cc3)no1)nn2C(=O)OC(C)(C)C.COCCOc1cc2c(cc1F)c(-c1cc(-c3ccc(C4CCNCC4(C)C)cc3)no1)nn2C(=O)OC(C)(C)C
• InChI: InChI=1S/C36H45FN4O7.C31H37FN4O5.C26H29FN4O3.C19H28N2O3.C17H19FN2O4.CH2O.CH4/c1-34(2,3)46-32(42)40-15-14-25(36(7,8)21-40)22-10-12-23(13-11-22)27-19-30(48-39-27)31-24-18-26(37)29(45-17-16-44-9)20-28(24)41(38-31)33(43)47-35(4,5)6;1-30(2,3)40-29(37)36-25-17-26(39-14-13-38-6)23(32)15-21(25)28(34-36)27-16-24(35-41-27)20-9-7-19(8-10-20)22-11-12-33-18-31(22,4)5;1-26(2)15-28-9-8-19(26)16-4-6-17(7-5-16)21-13-24(34-31-21)25-18-12-20(27)23(33-11-10-32-3)14-22(18)29-30-25;1-18(2,3)24-17(22)21-11-10-16(19(4,5)13-21)15-8-6-14(7-9-15)12-20-23;1-6-13-11-9-12(18)15(23-8-7-22-5)10-14(11)20(19-13)16(21)24-17(2,3)4;1-2;/h10-13,18-20,25H,14-17,21H2,1-9H3;7-10,15-17,22,33H,11-14,18H2,1-6H3;4-7,12-14,19,28H,8-11,15H2,1-3H3,(H,29,30);6-9,12,16,23H,10-11,13H2,1-5H3;1,9-10H,7-8H2,2-5H3;1H2;1H4/b;;;20-12+
• InChIKey: GEDXGHBIKRYTSJ-CBFYVTIXSA-N
• XLogP: 27.28
• TPSA: 445.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 36
• Rotatable Bonds: 27
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2406.83
LogP ≤ 5	27.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[3-[4-[3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-[3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-ethynyl-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 4-[4-[(E)-hydroxyiminomethyl]phenyl]-3,3-dimethylpiperidine-1-carboxylate;3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;formaldehyde;methane?

The IUPAC name of tert-butyl 3-[3-[4-[3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-[3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-ethynyl-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 4-[4-[(E)-hydroxyiminomethyl]phenyl]-3,3-dimethylpiperidine-1-carboxylate;3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;formaldehyde;methane (CID 172984404) is tert-butyl 3-[3-[4-[3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-[3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-ethynyl-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 4-[4-[(E)-hydroxyiminomethyl]phenyl]-3,3-dimethylpiperidine-1-carboxylate;3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;formaldehyde;methane.

What is the SMILES notation for tert-butyl 3-[3-[4-[3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-[3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-ethynyl-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 4-[4-[(E)-hydroxyiminomethyl]phenyl]-3,3-dimethylpiperidine-1-carboxylate;3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;formaldehyde;methane?

The canonical SMILES for tert-butyl 3-[3-[4-[3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-[3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-ethynyl-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 4-[4-[(E)-hydroxyiminomethyl]phenyl]-3,3-dimethylpiperidine-1-carboxylate;3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;formaldehyde;methane is C.C#Cc1nn(C(=O)OC(C)(C)C)c2cc(OCCOC)c(F)cc12.C=O.CC(C)(C)OC(=O)N1CCC(c2ccc(/C=N/O)cc2)C(C)(C)C1.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C5CCNCC5(C)C)cc4)no3)c2cc1F.COCCOc1cc2c(cc1F)c(-c1cc(-c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4(C)C)cc3)no1)nn2C(=O)OC(C)(C)C.COCCOc1cc2c(cc1F)c(-c1cc(-c3ccc(C4CCNCC4(C)C)cc3)no1)nn2C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl 3-[3-[4-[3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-[3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-ethynyl-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 4-[4-[(E)-hydroxyiminomethyl]phenyl]-3,3-dimethylpiperidine-1-carboxylate;3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;formaldehyde;methane?

The InChIKey is GEDXGHBIKRYTSJ-CBFYVTIXSA-N. The full InChI is InChI=1S/C36H45FN4O7.C31H37FN4O5.C26H29FN4O3.C19H28N2O3.C17H19FN2O4.CH2O.CH4/c1-34(2,3)46-32(42)40-15-14-25(36(7,8)21-40)22-10-12-23(13-11-22)27-19-30(48-39-27)31-24-18-26(37)29(45-17-16-44-9)20-28(24)41(38-31)33(43)47-35(4,5)6;1-30(2,3)40-29(37)36-25-17-26(39-14-13-38-6)23(32)15-21(25)28(34-36)27-16-24(35-41-27)20-9-7-19(8-10-20)22-11-12-33-18-31(22,4)5;1-26(2)15-28-9-8-19(26)16-4-6-17(7-5-16)21-13-24(34-31-21)25-18-12-20(27)23(33-11-10-32-3)14-22(18)29-30-25;1-18(2,3)24-17(22)21-11-10-16(19(4,5)13-21)15-8-6-14(7-9-15)12-20-23;1-6-13-11-9-12(18)15(23-8-7-22-5)10-14(11)20(19-13)16(21)24-17(2,3)4;1-2;/h10-13,18-20,25H,14-17,21H2,1-9H3;7-10,15-17,22,33H,11-14,18H2,1-6H3;4-7,12-14,19,28H,8-11,15H2,1-3H3,(H,29,30);6-9,12,16,23H,10-11,13H2,1-5H3;1,9-10H,7-8H2,2-5H3;1H2;1H4/b;;;20-12+;;;.

What are the key properties of tert-butyl 3-[3-[4-[3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-[3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-ethynyl-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 4-[4-[(E)-hydroxyiminomethyl]phenyl]-3,3-dimethylpiperidine-1-carboxylate;3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;formaldehyde;methane?

tert-butyl 3-[3-[4-[3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-[3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-ethynyl-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 4-[4-[(E)-hydroxyiminomethyl]phenyl]-3,3-dimethylpiperidine-1-carboxylate;3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;formaldehyde;methane has a molecular weight of 2406.83 g/mol, XLogP of 27.28, 27 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[3-[4-[3,3-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-[3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-1,2-oxazol-5-yl]-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 3-ethynyl-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 4-[4-[(E)-hydroxyiminomethyl]phenyl]-3,3-dimethylpiperidine-1-carboxylate;3-[4-(3,3-dimethylpiperidin-4-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;formaldehyde;methane is sourced from PubChem (CID 172984404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).