tert-butyl N-[3-(hydroxymethyl)cyclobutyl]carbamate;tert-butyl N-[3-(methoxymethyl)cyclobutyl]carbamate;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;3-(methoxymethyl)cyclobutan-1-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;hydrochloride

C94H137BCl4F3N17O17 — CID 158380740

About tert-butyl N-[3-(hydroxymethyl)cyclobutyl]carbamate;tert-butyl N-[3-(methoxymethyl)cyclobutyl]carbamate;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;3-(methoxymethyl)cyclobutan-1-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;hydrochloride

tert-butyl N-[3-(hydroxymethyl)cyclobutyl]carbamate;tert-butyl N-[3-(methoxymethyl)cyclobutyl]carbamate;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;3-(methoxymethyl)cyclobutan-1-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;hydrochloride (PubChem CID 158380740) has the molecular formula C94H137BCl4F3N17O17 and a molecular weight of 1986.85 g/mol. Its IUPAC name is tert-butyl N-[3-(hydroxymethyl)cyclobutyl]carbamate;tert-butyl N-[3-(methoxymethyl)cyclobutyl]carbamate;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;3-(methoxymethyl)cyclobutan-1-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl N-[3-(hydroxymethyl)cyclobutyl]carbamate;tert-butyl N-[3-(methoxymethyl)cyclobutyl]carbamate;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;3-(methoxymethyl)cyclobutan-1-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;hydrochloride
• PubChem CID: 158380740
• Molecular Formula: C94H137BCl4F3N17O17
• Molecular Weight: 1986.85 g/mol
• Exact Mass: 1983.92
• IUPAC Name: tert-butyl N-[3-(hydroxymethyl)cyclobutyl]carbamate;tert-butyl N-[3-(methoxymethyl)cyclobutyl]carbamate;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;3-(methoxymethyl)cyclobutan-1-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;hydrochloride
• SMILES: CC(C)(C)OC(=O)NC1CC(CO)C1.CC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1Cl.CC1(C)OB(c2ccc3cc(C#N)cnn23)OC1(C)C.COCC1CC(N)C1.COCC1CC(NC(=O)OC(C)(C)C)C1.COCC1CC(Nc2cc(-c3ccc4cc(C#N)cnn34)ncc2C(=O)NC[C@@H](F)C(C)(C)O)C1.COCC1CC(Nc2cc(Cl)ncc2C(=O)NC[C@@H](F)C(C)(C)O)C1.Cl
• InChI: InChI=1S/C25H29FN6O3.C17H25ClFN3O3.C14H16BN3O2.C11H13Cl2FN2O2.C11H21NO3.C10H19NO3.C6H13NO.ClH/c1-25(2,34)23(26)13-29-24(33)19-12-28-21(9-20(19)31-17-6-15(7-17)14-35-3)22-5-4-18-8-16(10-27)11-30-32(18)22;1-17(2,24)14(19)8-21-16(23)12-7-20-15(18)6-13(12)22-11-4-10(5-11)9-25-3;1-13(2)14(3,4)20-15(19-13)12-6-5-11-7-10(8-16)9-17-18(11)12;1-11(2,18)8(14)5-16-10(17)6-4-15-9(13)3-7(6)12;1-11(2,3)15-10(13)12-9-5-8(6-9)7-14-4;1-10(2,3)14-9(13)11-8-4-7(5-8)6-12;1-8-4-5-2-6(7)3-5;/h4-5,8-9,11-12,15,17,23,34H,6-7,13-14H2,1-3H3,(H,28,31)(H,29,33);6-7,10-11,14,24H,4-5,8-9H2,1-3H3,(H,20,22)(H,21,23);5-7,9H,1-4H3;3-4,8,18H,5H2,1-2H3,(H,16,17);8-9H,5-7H2,1-4H3,(H,12,13);7-8,12H,4-6H2,1-3H3,(H,11,13);5-6H,2-4,7H2,1H3;1H/t15?,17?,23-;10?,11?,14-;;8-;;;;/m11.1..../s1
• InChIKey: VMJRQUILDNZPCB-PGOYDNSWSA-N
• XLogP: 13.10
• TPSA: 471.19 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 29
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1986.85
LogP ≤ 5	13.10
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(hydroxymethyl)cyclobutyl]carbamate;tert-butyl N-[3-(methoxymethyl)cyclobutyl]carbamate;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;3-(methoxymethyl)cyclobutan-1-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;hydrochloride?

The IUPAC name of tert-butyl N-[3-(hydroxymethyl)cyclobutyl]carbamate;tert-butyl N-[3-(methoxymethyl)cyclobutyl]carbamate;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;3-(methoxymethyl)cyclobutan-1-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;hydrochloride (CID 158380740) is tert-butyl N-[3-(hydroxymethyl)cyclobutyl]carbamate;tert-butyl N-[3-(methoxymethyl)cyclobutyl]carbamate;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;3-(methoxymethyl)cyclobutan-1-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;hydrochloride.

What is the SMILES notation for tert-butyl N-[3-(hydroxymethyl)cyclobutyl]carbamate;tert-butyl N-[3-(methoxymethyl)cyclobutyl]carbamate;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;3-(methoxymethyl)cyclobutan-1-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;hydrochloride?

The canonical SMILES for tert-butyl N-[3-(hydroxymethyl)cyclobutyl]carbamate;tert-butyl N-[3-(methoxymethyl)cyclobutyl]carbamate;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;3-(methoxymethyl)cyclobutan-1-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;hydrochloride is CC(C)(C)OC(=O)NC1CC(CO)C1.CC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1Cl.CC1(C)OB(c2ccc3cc(C#N)cnn23)OC1(C)C.COCC1CC(N)C1.COCC1CC(NC(=O)OC(C)(C)C)C1.COCC1CC(Nc2cc(-c3ccc4cc(C#N)cnn34)ncc2C(=O)NC[C@@H](F)C(C)(C)O)C1.COCC1CC(Nc2cc(Cl)ncc2C(=O)NC[C@@H](F)C(C)(C)O)C1.Cl.

What is the InChIKey of tert-butyl N-[3-(hydroxymethyl)cyclobutyl]carbamate;tert-butyl N-[3-(methoxymethyl)cyclobutyl]carbamate;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;3-(methoxymethyl)cyclobutan-1-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;hydrochloride?

The InChIKey is VMJRQUILDNZPCB-PGOYDNSWSA-N. The full InChI is InChI=1S/C25H29FN6O3.C17H25ClFN3O3.C14H16BN3O2.C11H13Cl2FN2O2.C11H21NO3.C10H19NO3.C6H13NO.ClH/c1-25(2,34)23(26)13-29-24(33)19-12-28-21(9-20(19)31-17-6-15(7-17)14-35-3)22-5-4-18-8-16(10-27)11-30-32(18)22;1-17(2,24)14(19)8-21-16(23)12-7-20-15(18)6-13(12)22-11-4-10(5-11)9-25-3;1-13(2)14(3,4)20-15(19-13)12-6-5-11-7-10(8-16)9-17-18(11)12;1-11(2,18)8(14)5-16-10(17)6-4-15-9(13)3-7(6)12;1-11(2,3)15-10(13)12-9-5-8(6-9)7-14-4;1-10(2,3)14-9(13)11-8-4-7(5-8)6-12;1-8-4-5-2-6(7)3-5;/h4-5,8-9,11-12,15,17,23,34H,6-7,13-14H2,1-3H3,(H,28,31)(H,29,33);6-7,10-11,14,24H,4-5,8-9H2,1-3H3,(H,20,22)(H,21,23);5-7,9H,1-4H3;3-4,8,18H,5H2,1-2H3,(H,16,17);8-9H,5-7H2,1-4H3,(H,12,13);7-8,12H,4-6H2,1-3H3,(H,11,13);5-6H,2-4,7H2,1H3;1H/t15?,17?,23-;10?,11?,14-;;8-;;;;/m11.1..../s1.

What are the key properties of tert-butyl N-[3-(hydroxymethyl)cyclobutyl]carbamate;tert-butyl N-[3-(methoxymethyl)cyclobutyl]carbamate;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;3-(methoxymethyl)cyclobutan-1-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;hydrochloride?

tert-butyl N-[3-(hydroxymethyl)cyclobutyl]carbamate;tert-butyl N-[3-(methoxymethyl)cyclobutyl]carbamate;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;3-(methoxymethyl)cyclobutan-1-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;hydrochloride has a molecular weight of 1986.85 g/mol, XLogP of 13.10, 29 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-(hydroxymethyl)cyclobutyl]carbamate;tert-butyl N-[3-(methoxymethyl)cyclobutyl]carbamate;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[3-(methoxymethyl)cyclobutyl]amino]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;3-(methoxymethyl)cyclobutan-1-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 158380740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).