tert-butyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate;dichloromethane;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane];propan-2-yl carbonochloridate;propan-2-yl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate

C74H95Cl3N12O12 — CID 157215900

About tert-butyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate;dichloromethane;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane];propan-2-yl carbonochloridate;propan-2-yl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate

tert-butyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate;dichloromethane;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane];propan-2-yl carbonochloridate;propan-2-yl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate (PubChem CID 157215900) has the molecular formula C74H95Cl3N12O12 and a molecular weight of 1451.00 g/mol. Its IUPAC name is tert-butyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate;dichloromethane;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane];propan-2-yl carbonochloridate;propan-2-yl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate;dichloromethane;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane];propan-2-yl carbonochloridate;propan-2-yl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate
• PubChem CID: 157215900
• Molecular Formula: C74H95Cl3N12O12
• Molecular Weight: 1451.00 g/mol
• Exact Mass: 1448.63
• IUPAC Name: tert-butyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate;dichloromethane;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane];propan-2-yl carbonochloridate;propan-2-yl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate
• SMILES: CC(C)OC(=O)Cl.Cc1ncccc1Oc1ncnc(OC2CC3CCC(N3)C23CC3)c1C.Cc1ncccc1Oc1ncnc(OC2CC3CCC(N3C(=O)OC(C)(C)C)C23CC3)c1C.Cc1ncccc1Oc1ncnc(OC2CC3CCC(N3C(=O)OC(C)C)C23CC3)c1C.ClCCl
• InChI: InChI=1S/C25H32N4O4.C24H30N4O4.C20H24N4O2.C4H7ClO2.CH2Cl2/c1-15-21(31-18-7-6-12-26-16(18)2)27-14-28-22(15)32-20-13-17-8-9-19(25(20)10-11-25)29(17)23(30)33-24(3,4)5;1-14(2)30-23(29)28-17-7-8-19(28)24(9-10-24)20(12-17)32-22-15(3)21(26-13-27-22)31-18-6-5-11-25-16(18)4;1-12-18(25-15-4-3-9-21-13(15)2)22-11-23-19(12)26-17-10-14-5-6-16(24-14)20(17)7-8-20;1-3(2)7-4(5)6;2-1-3/h6-7,12,14,17,19-20H,8-11,13H2,1-5H3;5-6,11,13-14,17,19-20H,7-10,12H2,1-4H3;3-4,9,11,14,16-17,24H,5-8,10H2,1-2H3;3H,1-2H3;1H2
• InChIKey: ASKJYNNJOMDFCW-UHFFFAOYSA-N
• XLogP: 16.09
• TPSA: 268.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1451.00
LogP ≤ 5	16.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate;dichloromethane;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane];propan-2-yl carbonochloridate;propan-2-yl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate?

The IUPAC name of tert-butyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate;dichloromethane;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane];propan-2-yl carbonochloridate;propan-2-yl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate (CID 157215900) is tert-butyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate;dichloromethane;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane];propan-2-yl carbonochloridate;propan-2-yl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate.

What is the SMILES notation for tert-butyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate;dichloromethane;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane];propan-2-yl carbonochloridate;propan-2-yl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate?

The canonical SMILES for tert-butyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate;dichloromethane;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane];propan-2-yl carbonochloridate;propan-2-yl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate is CC(C)OC(=O)Cl.Cc1ncccc1Oc1ncnc(OC2CC3CCC(N3)C23CC3)c1C.Cc1ncccc1Oc1ncnc(OC2CC3CCC(N3C(=O)OC(C)(C)C)C23CC3)c1C.Cc1ncccc1Oc1ncnc(OC2CC3CCC(N3C(=O)OC(C)C)C23CC3)c1C.ClCCl.

What is the InChIKey of tert-butyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate;dichloromethane;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane];propan-2-yl carbonochloridate;propan-2-yl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate?

The InChIKey is ASKJYNNJOMDFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4.C24H30N4O4.C20H24N4O2.C4H7ClO2.CH2Cl2/c1-15-21(31-18-7-6-12-26-16(18)2)27-14-28-22(15)32-20-13-17-8-9-19(25(20)10-11-25)29(17)23(30)33-24(3,4)5;1-14(2)30-23(29)28-17-7-8-19(28)24(9-10-24)20(12-17)32-22-15(3)21(26-13-27-22)31-18-6-5-11-25-16(18)4;1-12-18(25-15-4-3-9-21-13(15)2)22-11-23-19(12)26-17-10-14-5-6-16(24-14)20(17)7-8-20;1-3(2)7-4(5)6;2-1-3/h6-7,12,14,17,19-20H,8-11,13H2,1-5H3;5-6,11,13-14,17,19-20H,7-10,12H2,1-4H3;3-4,9,11,14,16-17,24H,5-8,10H2,1-2H3;3H,1-2H3;1H2.

What are the key properties of tert-butyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate;dichloromethane;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane];propan-2-yl carbonochloridate;propan-2-yl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate?

tert-butyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate;dichloromethane;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane];propan-2-yl carbonochloridate;propan-2-yl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate has a molecular weight of 1451.00 g/mol, XLogP of 16.09, 14 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate;dichloromethane;3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane];propan-2-yl carbonochloridate;propan-2-yl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxyspiro[8-azabicyclo[3.2.1]octane-2,1'-cyclopropane]-8-carboxylate is sourced from PubChem (CID 157215900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).