[2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]-5-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamic acid

C32H34ClN7O7S — CID 174172596

About [2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]-5-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamic acid

[2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]-5-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamic acid (PubChem CID 174172596) has the molecular formula C32H34ClN7O7S and a molecular weight of 696.19 g/mol. Its IUPAC name is [2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]-5-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamic acid.

Molecular Properties

• Compound Name: [2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]-5-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamic acid
• PubChem CID: 174172596
• Molecular Formula: C32H34ClN7O7S
• Molecular Weight: 696.19 g/mol
• Exact Mass: 695.19
• IUPAC Name: [2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]-5-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamic acid
• SMILES: Cc1ccnc([C@H]2C[C@@H]2C(=O)Nc2cc(N(Cc3cn4cc(C5CC5)ccc4n3)C(=O)O)c(Cl)cc2S(=O)(=O)NC(=O)OC(C)(C)C)n1
• InChI: InChI=1S/C32H34ClN7O7S/c1-17-9-10-34-28(35-17)21-11-22(21)29(41)37-24-13-25(23(33)12-26(24)48(45,46)38-30(42)47-32(2,3)4)40(31(43)44)16-20-15-39-14-19(18-5-6-18)7-8-27(39)36-20/h7-10,12-15,18,21-22H,5-6,11,16H2,1-4H3,(H,37,41)(H,38,42)(H,43,44)/t21-,22-/m0/s1
• InChIKey: XONBIMCREBNNAX-VXKWHMMOSA-N
• XLogP: 5.60
• TPSA: 185.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.19
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]-5-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamic acid?

The IUPAC name of [2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]-5-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamic acid (CID 174172596) is [2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]-5-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamic acid.

What is the SMILES notation for [2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]-5-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamic acid?

The canonical SMILES for [2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]-5-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamic acid is Cc1ccnc([C@H]2C[C@@H]2C(=O)Nc2cc(N(Cc3cn4cc(C5CC5)ccc4n3)C(=O)O)c(Cl)cc2S(=O)(=O)NC(=O)OC(C)(C)C)n1.

What is the InChIKey of [2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]-5-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamic acid?

The InChIKey is XONBIMCREBNNAX-VXKWHMMOSA-N. The full InChI is InChI=1S/C32H34ClN7O7S/c1-17-9-10-34-28(35-17)21-11-22(21)29(41)37-24-13-25(23(33)12-26(24)48(45,46)38-30(42)47-32(2,3)4)40(31(43)44)16-20-15-39-14-19(18-5-6-18)7-8-27(39)36-20/h7-10,12-15,18,21-22H,5-6,11,16H2,1-4H3,(H,37,41)(H,38,42)(H,43,44)/t21-,22-/m0/s1.

What are the key properties of [2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]-5-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamic acid?

[2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]-5-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamic acid has a molecular weight of 696.19 g/mol, XLogP of 5.60, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-chloro-4-[(2-methylpropan-2-yl)oxycarbonylsulfamoyl]-5-[[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropanecarbonyl]amino]phenyl]-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]carbamic acid is sourced from PubChem (CID 174172596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).