tert-butyl N-[5-amino-2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]phenyl]-N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate

C27H34ClN5O6S — CID 170694065

About tert-butyl N-[5-amino-2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]phenyl]-N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate

tert-butyl N-[5-amino-2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]phenyl]-N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate (PubChem CID 170694065) has the molecular formula C27H34ClN5O6S and a molecular weight of 592.12 g/mol. Its IUPAC name is tert-butyl N-[5-amino-2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]phenyl]-N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[5-amino-2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]phenyl]-N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
• PubChem CID: 170694065
• Molecular Formula: C27H34ClN5O6S
• Molecular Weight: 592.12 g/mol
• Exact Mass: 591.19
• IUPAC Name: tert-butyl N-[5-amino-2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]phenyl]-N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
• SMILES: CC(C)(C)OC(=O)NS(=O)(=O)c1cc(Cl)c(N(Cc2cn3cc(C4CC4)ccc3n2)C(=O)OC(C)(C)C)cc1N
• InChI: InChI=1S/C27H34ClN5O6S/c1-26(2,3)38-24(34)31-40(36,37)22-11-19(28)21(12-20(22)29)33(25(35)39-27(4,5)6)15-18-14-32-13-17(16-7-8-16)9-10-23(32)30-18/h9-14,16H,7-8,15,29H2,1-6H3,(H,31,34)
• InChIKey: UAWJEOBVIFKWII-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 145.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.12
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-amino-2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]phenyl]-N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate?

The IUPAC name of tert-butyl N-[5-amino-2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]phenyl]-N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate (CID 170694065) is tert-butyl N-[5-amino-2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]phenyl]-N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate.

What is the SMILES notation for tert-butyl N-[5-amino-2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]phenyl]-N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate?

The canonical SMILES for tert-butyl N-[5-amino-2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]phenyl]-N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NS(=O)(=O)c1cc(Cl)c(N(Cc2cn3cc(C4CC4)ccc3n2)C(=O)OC(C)(C)C)cc1N.

What is the InChIKey of tert-butyl N-[5-amino-2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]phenyl]-N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate?

The InChIKey is UAWJEOBVIFKWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN5O6S/c1-26(2,3)38-24(34)31-40(36,37)22-11-19(28)21(12-20(22)29)33(25(35)39-27(4,5)6)15-18-14-32-13-17(16-7-8-16)9-10-23(32)30-18/h9-14,16H,7-8,15,29H2,1-6H3,(H,31,34).

What are the key properties of tert-butyl N-[5-amino-2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]phenyl]-N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate?

tert-butyl N-[5-amino-2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]phenyl]-N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate has a molecular weight of 592.12 g/mol, XLogP of 5.60, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[5-amino-2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]phenyl]-N-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate is sourced from PubChem (CID 170694065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).