tert-butyl N-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamate;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-methylpropan-2-ol;N-(oxomethylidene)sulfamoyl chloride

C58H83ClN12O13S3 — CID 158505046

About tert-butyl N-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamate;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-methylpropan-2-ol;N-(oxomethylidene)sulfamoyl chloride

tert-butyl N-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamate;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-methylpropan-2-ol;N-(oxomethylidene)sulfamoyl chloride (PubChem CID 158505046) has the molecular formula C58H83ClN12O13S3 and a molecular weight of 1288.03 g/mol. Its IUPAC name is tert-butyl N-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamate;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-methylpropan-2-ol;N-(oxomethylidene)sulfamoyl chloride.

Molecular Properties

• Compound Name: tert-butyl N-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamate;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-methylpropan-2-ol;N-(oxomethylidene)sulfamoyl chloride
• PubChem CID: 158505046
• Molecular Formula: C58H83ClN12O13S3
• Molecular Weight: 1288.03 g/mol
• Exact Mass: 1286.51
• IUPAC Name: tert-butyl N-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamate;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-methylpropan-2-ol;N-(oxomethylidene)sulfamoyl chloride
• SMILES: CC(C)(C)O.CC(C)(C)OC(=O)NS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.NS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.O=C=NS(=O)(=O)Cl.OC(c1c(C2CC2)ccn2cncc12)C1CCCNC1
• InChI: InChI=1S/C21H30N4O5S.C16H22N4O3S.C16H21N3O.C4H10O.CClNO3S/c1-21(2,3)30-20(27)23-31(28,29)25-9-4-5-15(12-25)19(26)18-16(14-6-7-14)8-10-24-13-22-11-17(18)24;17-24(22,23)20-6-1-2-12(9-20)16(21)15-13(11-3-4-11)5-7-19-10-18-8-14(15)19;20-16(12-2-1-6-17-8-12)15-13(11-3-4-11)5-7-19-10-18-9-14(15)19;1-4(2,3)5;2-7(5,6)3-1-4/h8,10-11,13-15,19,26H,4-7,9,12H2,1-3H3,(H,23,27);5,7-8,10-12,16,21H,1-4,6,9H2,(H2,17,22,23);5,7,9-12,16-17,20H,1-4,6,8H2;5H,1-3H3
• InChIKey: HKJCOQVMLJVURP-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 347.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1288.03
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamate;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-methylpropan-2-ol;N-(oxomethylidene)sulfamoyl chloride?

The IUPAC name of tert-butyl N-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamate;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-methylpropan-2-ol;N-(oxomethylidene)sulfamoyl chloride (CID 158505046) is tert-butyl N-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamate;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-methylpropan-2-ol;N-(oxomethylidene)sulfamoyl chloride.

What is the SMILES notation for tert-butyl N-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamate;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-methylpropan-2-ol;N-(oxomethylidene)sulfamoyl chloride?

The canonical SMILES for tert-butyl N-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamate;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-methylpropan-2-ol;N-(oxomethylidene)sulfamoyl chloride is CC(C)(C)O.CC(C)(C)OC(=O)NS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.NS(=O)(=O)N1CCCC(C(O)c2c(C3CC3)ccn3cncc23)C1.O=C=NS(=O)(=O)Cl.OC(c1c(C2CC2)ccn2cncc12)C1CCCNC1.

What is the InChIKey of tert-butyl N-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamate;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-methylpropan-2-ol;N-(oxomethylidene)sulfamoyl chloride?

The InChIKey is HKJCOQVMLJVURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O5S.C16H22N4O3S.C16H21N3O.C4H10O.CClNO3S/c1-21(2,3)30-20(27)23-31(28,29)25-9-4-5-15(12-25)19(26)18-16(14-6-7-14)8-10-24-13-22-11-17(18)24;17-24(22,23)20-6-1-2-12(9-20)16(21)15-13(11-3-4-11)5-7-19-10-18-8-14(15)19;20-16(12-2-1-6-17-8-12)15-13(11-3-4-11)5-7-19-10-18-9-14(15)19;1-4(2,3)5;2-7(5,6)3-1-4/h8,10-11,13-15,19,26H,4-7,9,12H2,1-3H3,(H,23,27);5,7-8,10-12,16,21H,1-4,6,9H2,(H2,17,22,23);5,7,9-12,16-17,20H,1-4,6,8H2;5H,1-3H3;.

What are the key properties of tert-butyl N-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamate;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-methylpropan-2-ol;N-(oxomethylidene)sulfamoyl chloride?

tert-butyl N-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamate;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-methylpropan-2-ol;N-(oxomethylidene)sulfamoyl chloride has a molecular weight of 1288.03 g/mol, XLogP of 6.71, 13 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidin-1-yl]sulfonylcarbamate;3-[(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-hydroxymethyl]piperidine-1-sulfonamide;(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-piperidin-3-ylmethanol;2-methylpropan-2-ol;N-(oxomethylidene)sulfamoyl chloride is sourced from PubChem (CID 158505046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).