2-chloro-7-(4-methylphenyl)sulfonyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;7-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine

C58H63ClN14O10S2 — CID 167668935

About 2-chloro-7-(4-methylphenyl)sulfonyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;7-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine

2-chloro-7-(4-methylphenyl)sulfonyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;7-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine (PubChem CID 167668935) has the molecular formula C58H63ClN14O10S2 and a molecular weight of 1215.82 g/mol. Its IUPAC name is 2-chloro-7-(4-methylphenyl)sulfonyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;7-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine.

Molecular Properties

• Compound Name: 2-chloro-7-(4-methylphenyl)sulfonyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;7-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine
• PubChem CID: 167668935
• Molecular Formula: C58H63ClN14O10S2
• Molecular Weight: 1215.82 g/mol
• Exact Mass: 1214.40
• IUPAC Name: 2-chloro-7-(4-methylphenyl)sulfonyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;7-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine
• SMILES: C1CCNC1.COc1cc(-n2cnc(Nc3nc(Cl)nc4c3ccn4S(=O)(=O)c3ccc(C)cc3)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCCC4)nc4c3ccn4S(=O)(=O)c3ccc(C)cc3)c2)cc(OC)c1OC
• InChI: InChI=1S/C29H31N7O5S.C25H23ClN6O5S.C4H9N/c1-19-7-9-21(10-8-19)42(37,38)36-14-11-22-27(32-29(33-28(22)36)34-12-5-6-13-34)31-25-17-35(18-30-25)20-15-23(39-2)26(41-4)24(16-20)40-3;1-15-5-7-17(8-6-15)38(33,34)32-10-9-18-23(29-25(26)30-24(18)32)28-21-13-31(14-27-21)16-11-19(35-2)22(37-4)20(12-16)36-3;1-2-4-5-3-1/h7-11,14-18H,5-6,12-13H2,1-4H3,(H,31,32,33);5-14H,1-4H3,(H,28,29,30);5H,1-4H2
• InChIKey: TUTXCFNCOVGSGG-UHFFFAOYSA-N
• XLogP: 9.49
• TPSA: 260.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1215.82
LogP ≤ 5	9.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(4-methylphenyl)sulfonyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;7-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine?

The IUPAC name of 2-chloro-7-(4-methylphenyl)sulfonyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;7-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine (CID 167668935) is 2-chloro-7-(4-methylphenyl)sulfonyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;7-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine.

What is the SMILES notation for 2-chloro-7-(4-methylphenyl)sulfonyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;7-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine?

The canonical SMILES for 2-chloro-7-(4-methylphenyl)sulfonyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;7-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine is C1CCNC1.COc1cc(-n2cnc(Nc3nc(Cl)nc4c3ccn4S(=O)(=O)c3ccc(C)cc3)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCCC4)nc4c3ccn4S(=O)(=O)c3ccc(C)cc3)c2)cc(OC)c1OC.

What is the InChIKey of 2-chloro-7-(4-methylphenyl)sulfonyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;7-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine?

The InChIKey is TUTXCFNCOVGSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O5S.C25H23ClN6O5S.C4H9N/c1-19-7-9-21(10-8-19)42(37,38)36-14-11-22-27(32-29(33-28(22)36)34-12-5-6-13-34)31-25-17-35(18-30-25)20-15-23(39-2)26(41-4)24(16-20)40-3;1-15-5-7-17(8-6-15)38(33,34)32-10-9-18-23(29-25(26)30-24(18)32)28-21-13-31(14-27-21)16-11-19(35-2)22(37-4)20(12-16)36-3;1-2-4-5-3-1/h7-11,14-18H,5-6,12-13H2,1-4H3,(H,31,32,33);5-14H,1-4H3,(H,28,29,30);5H,1-4H2.

What are the key properties of 2-chloro-7-(4-methylphenyl)sulfonyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;7-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine?

2-chloro-7-(4-methylphenyl)sulfonyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;7-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine has a molecular weight of 1215.82 g/mol, XLogP of 9.49, 17 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-7-(4-methylphenyl)sulfonyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;7-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine;pyrrolidine is sourced from PubChem (CID 167668935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).