2-amino-2-methylpropan-1-ol;4-bromo-6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-bromo-6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;methane;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;methyl 6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-4-carboxylate

C114H114Br2N22O18S3 — CID 162024723

About 2-amino-2-methylpropan-1-ol;4-bromo-6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-bromo-6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;methane;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;methyl 6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-4-carboxylate

2-amino-2-methylpropan-1-ol;4-bromo-6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-bromo-6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;methane;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;methyl 6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-4-carboxylate (PubChem CID 162024723) has the molecular formula C114H114Br2N22O18S3 and a molecular weight of 2336.31 g/mol. Its IUPAC name is 2-amino-2-methylpropan-1-ol;4-bromo-6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-bromo-6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;methane;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;methyl 6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-4-carboxylate.

Molecular Properties

• Compound Name: 2-amino-2-methylpropan-1-ol;4-bromo-6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-bromo-6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;methane;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;methyl 6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-4-carboxylate
• PubChem CID: 162024723
• Molecular Formula: C114H114Br2N22O18S3
• Molecular Weight: 2336.31 g/mol
• Exact Mass: 2332.62
• IUPAC Name: 2-amino-2-methylpropan-1-ol;4-bromo-6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-bromo-6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;methane;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;methyl 6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-4-carboxylate
• SMILES: C.C.CC(C)(N)CO.COC(=O)c1ncnc2c1cc(-c1cn(C)c3ccc(OC)cc13)n2S(=O)(=O)c1ccc(C)cc1.COc1ccc2[nH]cc(-c3cc4c(Br)ncnc4n3S(=O)(=O)c3ccc(C)cc3)c2c1.COc1ccc2c(c1)c(-c1cc3c(Br)ncnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C.COc1ccc2c(c1)c(-c1cc3c(C(=O)NC(C)(C)CO)ncnc3[nH]1)cn2C.COc1ccc2c(c1)c(-c1cc3c(C(=O)O)ncnc3[nH]1)cn2C
• InChI: InChI=1S/C25H22N4O5S.C23H19BrN4O3S.C22H17BrN4O3S.C21H23N5O3.C17H14N4O3.C4H11NO.2CH4/c1-15-5-8-17(9-6-15)35(31,32)29-22(12-19-23(25(30)34-4)26-14-27-24(19)29)20-13-28(2)21-10-7-16(33-3)11-18(20)21;1-14-4-7-16(8-5-14)32(29,30)28-21(11-18-22(24)25-13-26-23(18)28)19-12-27(2)20-9-6-15(31-3)10-17(19)20;1-13-3-6-15(7-4-13)31(28,29)27-20(10-17-21(23)25-12-26-22(17)27)18-11-24-19-8-5-14(30-2)9-16(18)19;1-21(2,10-27)25-20(28)18-14-8-16(24-19(14)23-11-22-18)15-9-26(3)17-6-5-12(29-4)7-13(15)17;1-21-7-12(10-5-9(24-2)3-4-14(10)21)13-6-11-15(17(22)23)18-8-19-16(11)20-13;1-4(2,5)3-6;;/h5-14H,1-4H3;4-13H,1-3H3;3-12,24H,1-2H3;5-9,11,27H,10H2,1-4H3,(H,25,28)(H,22,23,24);3-8H,1-2H3,(H,22,23)(H,18,19,20);6H,3,5H2,1-2H3;2*1H4
• InChIKey: YVFJRROQVPNAMJ-UHFFFAOYSA-N
• XLogP: 20.17
• TPSA: 518.53 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 22
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2336.31
LogP ≤ 5	20.17
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylpropan-1-ol;4-bromo-6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-bromo-6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;methane;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;methyl 6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-4-carboxylate?

The IUPAC name of 2-amino-2-methylpropan-1-ol;4-bromo-6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-bromo-6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;methane;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;methyl 6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-4-carboxylate (CID 162024723) is 2-amino-2-methylpropan-1-ol;4-bromo-6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-bromo-6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;methane;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;methyl 6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-4-carboxylate.

What is the SMILES notation for 2-amino-2-methylpropan-1-ol;4-bromo-6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-bromo-6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;methane;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;methyl 6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-4-carboxylate?

The canonical SMILES for 2-amino-2-methylpropan-1-ol;4-bromo-6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-bromo-6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;methane;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;methyl 6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-4-carboxylate is C.C.CC(C)(N)CO.COC(=O)c1ncnc2c1cc(-c1cn(C)c3ccc(OC)cc13)n2S(=O)(=O)c1ccc(C)cc1.COc1ccc2[nH]cc(-c3cc4c(Br)ncnc4n3S(=O)(=O)c3ccc(C)cc3)c2c1.COc1ccc2c(c1)c(-c1cc3c(Br)ncnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C.COc1ccc2c(c1)c(-c1cc3c(C(=O)NC(C)(C)CO)ncnc3[nH]1)cn2C.COc1ccc2c(c1)c(-c1cc3c(C(=O)O)ncnc3[nH]1)cn2C.

What is the InChIKey of 2-amino-2-methylpropan-1-ol;4-bromo-6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-bromo-6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;methane;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;methyl 6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-4-carboxylate?

The InChIKey is YVFJRROQVPNAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O5S.C23H19BrN4O3S.C22H17BrN4O3S.C21H23N5O3.C17H14N4O3.C4H11NO.2CH4/c1-15-5-8-17(9-6-15)35(31,32)29-22(12-19-23(25(30)34-4)26-14-27-24(19)29)20-13-28(2)21-10-7-16(33-3)11-18(20)21;1-14-4-7-16(8-5-14)32(29,30)28-21(11-18-22(24)25-13-26-23(18)28)19-12-27(2)20-9-6-15(31-3)10-17(19)20;1-13-3-6-15(7-4-13)31(28,29)27-20(10-17-21(23)25-12-26-22(17)27)18-11-24-19-8-5-14(30-2)9-16(18)19;1-21(2,10-27)25-20(28)18-14-8-16(24-19(14)23-11-22-18)15-9-26(3)17-6-5-12(29-4)7-13(15)17;1-21-7-12(10-5-9(24-2)3-4-14(10)21)13-6-11-15(17(22)23)18-8-19-16(11)20-13;1-4(2,5)3-6;;/h5-14H,1-4H3;4-13H,1-3H3;3-12,24H,1-2H3;5-9,11,27H,10H2,1-4H3,(H,25,28)(H,22,23,24);3-8H,1-2H3,(H,22,23)(H,18,19,20);6H,3,5H2,1-2H3;2*1H4.

What are the key properties of 2-amino-2-methylpropan-1-ol;4-bromo-6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-bromo-6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;methane;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;methyl 6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-4-carboxylate?

2-amino-2-methylpropan-1-ol;4-bromo-6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-bromo-6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;methane;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;methyl 6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-4-carboxylate has a molecular weight of 2336.31 g/mol, XLogP of 20.17, 22 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-methylpropan-1-ol;4-bromo-6-(5-methoxy-1H-indol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;4-bromo-6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;methane;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid;methyl 6-(5-methoxy-1-methylindol-3-yl)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-4-carboxylate is sourced from PubChem (CID 162024723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).