[(6S)-5-azaspiro[2.4]heptan-6-yl]methanol;[(6S)-5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(6S)-5-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-5-azaspiro[2.4]heptan-6-yl]methanol;4-methylmorpholine;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;2-methylpropyl carbonochloridate;propan-2-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

C88H122Cl4N20O15 — CID 167682499

About [(6S)-5-azaspiro[2.4]heptan-6-yl]methanol;[(6S)-5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(6S)-5-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-5-azaspiro[2.4]heptan-6-yl]methanol;4-methylmorpholine;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;2-methylpropyl carbonochloridate;propan-2-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

[(6S)-5-azaspiro[2.4]heptan-6-yl]methanol;[(6S)-5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(6S)-5-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-5-azaspiro[2.4]heptan-6-yl]methanol;4-methylmorpholine;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;2-methylpropyl carbonochloridate;propan-2-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (PubChem CID 167682499) has the molecular formula C88H122Cl4N20O15 and a molecular weight of 1841.88 g/mol. Its IUPAC name is [(6S)-5-azaspiro[2.4]heptan-6-yl]methanol;[(6S)-5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(6S)-5-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-5-azaspiro[2.4]heptan-6-yl]methanol;4-methylmorpholine;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;2-methylpropyl carbonochloridate;propan-2-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

Molecular Properties

• Compound Name: [(6S)-5-azaspiro[2.4]heptan-6-yl]methanol;[(6S)-5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(6S)-5-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-5-azaspiro[2.4]heptan-6-yl]methanol;4-methylmorpholine;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;2-methylpropyl carbonochloridate;propan-2-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
• PubChem CID: 167682499
• Molecular Formula: C88H122Cl4N20O15
• Molecular Weight: 1841.88 g/mol
• Exact Mass: 1838.82
• IUPAC Name: [(6S)-5-azaspiro[2.4]heptan-6-yl]methanol;[(6S)-5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(6S)-5-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-5-azaspiro[2.4]heptan-6-yl]methanol;4-methylmorpholine;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;2-methylpropyl carbonochloridate;propan-2-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
• SMILES: CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C(=O)O.CC(C)COC(=O)Cl.CC(C)O.CN1CCOCC1.COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CC5(CC5)C[C@H]4CO)c4cccn4n3)c2)cc(C)c1C.Clc1nc(Cl)c2cccn2n1.OC[C@@H]1CC2(CC2)CN1.OC[C@@H]1CC2(CC2)CN1c1nc(Cl)nn2cccc12
• InChI: InChI=1S/C25H29N7O2.C13H15ClN4O.C12H15N3O3.C12H19NO4.C7H13NO.C6H3Cl2N3.C5H9ClO2.C5H11NO.C3H8O/c1-16-9-18(10-21(34-3)17(16)2)30-12-22(26-15-30)27-24-28-23(20-5-4-8-32(20)29-24)31-14-25(6-7-25)11-19(31)13-33;14-12-15-11(10-2-1-5-18(10)16-12)17-8-13(3-4-13)6-9(17)7-19;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;1-11(2,3)17-10(16)13-7-12(4-5-12)6-8(13)9(14)15;9-4-6-3-7(1-2-7)5-8-6;7-5-4-2-1-3-11(4)10-6(8)9-5;1-4(2)3-8-5(6)7;1-6-2-4-7-5-3-6;1-3(2)4/h4-5,8-10,12,15,19,33H,6-7,11,13-14H2,1-3H3,(H,27,29);1-2,5,9,19H,3-4,6-8H2;4-7H,13H2,1-3H3;8H,4-7H2,1-3H3,(H,14,15);6,8-9H,1-5H2;1-3H;4H,3H2,1-2H3;2-5H2,1H3;3-4H,1-2H3/t19-;9-;;8-;6-;;;;/m00.00..../s1
• InChIKey: VSWNHPLSXSHNSW-QKVOLGSYSA-N
• XLogP: 13.22
• TPSA: 406.22 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 16
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1841.88
LogP ≤ 5	13.22
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(6S)-5-azaspiro[2.4]heptan-6-yl]methanol;[(6S)-5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(6S)-5-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-5-azaspiro[2.4]heptan-6-yl]methanol;4-methylmorpholine;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;2-methylpropyl carbonochloridate;propan-2-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The IUPAC name of [(6S)-5-azaspiro[2.4]heptan-6-yl]methanol;[(6S)-5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(6S)-5-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-5-azaspiro[2.4]heptan-6-yl]methanol;4-methylmorpholine;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;2-methylpropyl carbonochloridate;propan-2-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (CID 167682499) is [(6S)-5-azaspiro[2.4]heptan-6-yl]methanol;[(6S)-5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(6S)-5-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-5-azaspiro[2.4]heptan-6-yl]methanol;4-methylmorpholine;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;2-methylpropyl carbonochloridate;propan-2-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

What is the SMILES notation for [(6S)-5-azaspiro[2.4]heptan-6-yl]methanol;[(6S)-5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(6S)-5-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-5-azaspiro[2.4]heptan-6-yl]methanol;4-methylmorpholine;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;2-methylpropyl carbonochloridate;propan-2-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The canonical SMILES for [(6S)-5-azaspiro[2.4]heptan-6-yl]methanol;[(6S)-5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(6S)-5-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-5-azaspiro[2.4]heptan-6-yl]methanol;4-methylmorpholine;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;2-methylpropyl carbonochloridate;propan-2-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1C(=O)O.CC(C)COC(=O)Cl.CC(C)O.CN1CCOCC1.COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CC5(CC5)C[C@H]4CO)c4cccn4n3)c2)cc(C)c1C.Clc1nc(Cl)c2cccn2n1.OC[C@@H]1CC2(CC2)CN1.OC[C@@H]1CC2(CC2)CN1c1nc(Cl)nn2cccc12.

What is the InChIKey of [(6S)-5-azaspiro[2.4]heptan-6-yl]methanol;[(6S)-5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(6S)-5-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-5-azaspiro[2.4]heptan-6-yl]methanol;4-methylmorpholine;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;2-methylpropyl carbonochloridate;propan-2-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The InChIKey is VSWNHPLSXSHNSW-QKVOLGSYSA-N. The full InChI is InChI=1S/C25H29N7O2.C13H15ClN4O.C12H15N3O3.C12H19NO4.C7H13NO.C6H3Cl2N3.C5H9ClO2.C5H11NO.C3H8O/c1-16-9-18(10-21(34-3)17(16)2)30-12-22(26-15-30)27-24-28-23(20-5-4-8-32(20)29-24)31-14-25(6-7-25)11-19(31)13-33;14-12-15-11(10-2-1-5-18(10)16-12)17-8-13(3-4-13)6-9(17)7-19;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;1-11(2,3)17-10(16)13-7-12(4-5-12)6-8(13)9(14)15;9-4-6-3-7(1-2-7)5-8-6;7-5-4-2-1-3-11(4)10-6(8)9-5;1-4(2)3-8-5(6)7;1-6-2-4-7-5-3-6;1-3(2)4/h4-5,8-10,12,15,19,33H,6-7,11,13-14H2,1-3H3,(H,27,29);1-2,5,9,19H,3-4,6-8H2;4-7H,13H2,1-3H3;8H,4-7H2,1-3H3,(H,14,15);6,8-9H,1-5H2;1-3H;4H,3H2,1-2H3;2-5H2,1H3;3-4H,1-2H3/t19-;9-;;8-;6-;;;;/m00.00..../s1.

What are the key properties of [(6S)-5-azaspiro[2.4]heptan-6-yl]methanol;[(6S)-5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(6S)-5-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-5-azaspiro[2.4]heptan-6-yl]methanol;4-methylmorpholine;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;2-methylpropyl carbonochloridate;propan-2-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

[(6S)-5-azaspiro[2.4]heptan-6-yl]methanol;[(6S)-5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(6S)-5-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-5-azaspiro[2.4]heptan-6-yl]methanol;4-methylmorpholine;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;2-methylpropyl carbonochloridate;propan-2-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine has a molecular weight of 1841.88 g/mol, XLogP of 13.22, 16 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for [(6S)-5-azaspiro[2.4]heptan-6-yl]methanol;[(6S)-5-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)-5-azaspiro[2.4]heptan-6-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(6S)-5-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-5-azaspiro[2.4]heptan-6-yl]methanol;4-methylmorpholine;(6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-6-carboxylic acid;2-methylpropyl carbonochloridate;propan-2-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 167682499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).