2-[[2-(1-benzofuran-7-ylamino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-methyl-2-[[2-[[1-(3-morpholin-4-ylpropyl)indol-4-yl]amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide

C93H102N28O9 — CID 157330169

About 2-[[2-(1-benzofuran-7-ylamino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-methyl-2-[[2-[[1-(3-morpholin-4-ylpropyl)indol-4-yl]amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide

2-[[2-(1-benzofuran-7-ylamino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-methyl-2-[[2-[[1-(3-morpholin-4-ylpropyl)indol-4-yl]amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide (PubChem CID 157330169) has the molecular formula C93H102N28O9 and a molecular weight of 1756.03 g/mol. Its IUPAC name is 2-[[2-(1-benzofuran-7-ylamino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-methyl-2-[[2-[[1-(3-morpholin-4-ylpropyl)indol-4-yl]amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide.

Molecular Properties

• Compound Name: 2-[[2-(1-benzofuran-7-ylamino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-methyl-2-[[2-[[1-(3-morpholin-4-ylpropyl)indol-4-yl]amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide
• PubChem CID: 157330169
• Molecular Formula: C93H102N28O9
• Molecular Weight: 1756.03 g/mol
• Exact Mass: 1754.84
• IUPAC Name: 2-[[2-(1-benzofuran-7-ylamino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-methyl-2-[[2-[[1-(3-morpholin-4-ylpropyl)indol-4-yl]amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide
• SMILES: CNC(=O)c1ccccc1Nc1nc(Nc2cc(C)nn2C)nc2c1CCN2.CNC(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)nc2c1CCN2.CNC(=O)c1ccccc1Nc1nc(Nc2cccc3c2ccn3CCCN2CCOCC2)nc2c1CCN2.CNC(=O)c1ccccc1Nc1nc(Nc2cccc3ccoc23)nc2c1CCN2
• InChI: InChI=1S/C29H34N8O2.C23H26N6O4.C22H20N6O2.C19H22N8O/c1-30-28(38)21-6-2-3-7-24(21)32-27-22-10-12-31-26(22)34-29(35-27)33-23-8-4-9-25-20(23)11-15-37(25)14-5-13-36-16-18-39-19-17-36;1-24-22(30)14-7-5-6-8-16(14)27-21-15-9-10-25-20(15)28-23(29-21)26-13-11-17(31-2)19(33-4)18(12-13)32-3;1-23-21(29)14-6-2-3-7-16(14)25-20-15-9-11-24-19(15)27-22(28-20)26-17-8-4-5-13-10-12-30-18(13)17;1-11-10-15(27(3)26-11)23-19-24-16-13(8-9-21-16)17(25-19)22-14-7-5-4-6-12(14)18(28)20-2/h2-4,6-9,11,15H,5,10,12-14,16-19H2,1H3,(H,30,38)(H3,31,32,33,34,35);5-8,11-12H,9-10H2,1-4H3,(H,24,30)(H3,25,26,27,28,29);2-8,10,12H,9,11H2,1H3,(H,23,29)(H3,24,25,26,27,28);4-7,10H,8-9H2,1-3H3,(H,20,28)(H3,21,22,23,24,25)
• InChIKey: BFEQYQQBRIYFMK-UHFFFAOYSA-N
• XLogP: 13.66
• TPSA: 439.93 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1756.03
LogP ≤ 5	13.66
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-benzofuran-7-ylamino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-methyl-2-[[2-[[1-(3-morpholin-4-ylpropyl)indol-4-yl]amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide?

The IUPAC name of 2-[[2-(1-benzofuran-7-ylamino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-methyl-2-[[2-[[1-(3-morpholin-4-ylpropyl)indol-4-yl]amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide (CID 157330169) is 2-[[2-(1-benzofuran-7-ylamino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-methyl-2-[[2-[[1-(3-morpholin-4-ylpropyl)indol-4-yl]amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide.

What is the SMILES notation for 2-[[2-(1-benzofuran-7-ylamino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-methyl-2-[[2-[[1-(3-morpholin-4-ylpropyl)indol-4-yl]amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide?

The canonical SMILES for 2-[[2-(1-benzofuran-7-ylamino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-methyl-2-[[2-[[1-(3-morpholin-4-ylpropyl)indol-4-yl]amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide is CNC(=O)c1ccccc1Nc1nc(Nc2cc(C)nn2C)nc2c1CCN2.CNC(=O)c1ccccc1Nc1nc(Nc2cc(OC)c(OC)c(OC)c2)nc2c1CCN2.CNC(=O)c1ccccc1Nc1nc(Nc2cccc3c2ccn3CCCN2CCOCC2)nc2c1CCN2.CNC(=O)c1ccccc1Nc1nc(Nc2cccc3ccoc23)nc2c1CCN2.

What is the InChIKey of 2-[[2-(1-benzofuran-7-ylamino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-methyl-2-[[2-[[1-(3-morpholin-4-ylpropyl)indol-4-yl]amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide?

The InChIKey is BFEQYQQBRIYFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N8O2.C23H26N6O4.C22H20N6O2.C19H22N8O/c1-30-28(38)21-6-2-3-7-24(21)32-27-22-10-12-31-26(22)34-29(35-27)33-23-8-4-9-25-20(23)11-15-37(25)14-5-13-36-16-18-39-19-17-36;1-24-22(30)14-7-5-6-8-16(14)27-21-15-9-10-25-20(15)28-23(29-21)26-13-11-17(31-2)19(33-4)18(12-13)32-3;1-23-21(29)14-6-2-3-7-16(14)25-20-15-9-11-24-19(15)27-22(28-20)26-17-8-4-5-13-10-12-30-18(13)17;1-11-10-15(27(3)26-11)23-19-24-16-13(8-9-21-16)17(25-19)22-14-7-5-4-6-12(14)18(28)20-2/h2-4,6-9,11,15H,5,10,12-14,16-19H2,1H3,(H,30,38)(H3,31,32,33,34,35);5-8,11-12H,9-10H2,1-4H3,(H,24,30)(H3,25,26,27,28,29);2-8,10,12H,9,11H2,1H3,(H,23,29)(H3,24,25,26,27,28);4-7,10H,8-9H2,1-3H3,(H,20,28)(H3,21,22,23,24,25).

What are the key properties of 2-[[2-(1-benzofuran-7-ylamino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-methyl-2-[[2-[[1-(3-morpholin-4-ylpropyl)indol-4-yl]amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide?

2-[[2-(1-benzofuran-7-ylamino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-methyl-2-[[2-[[1-(3-morpholin-4-ylpropyl)indol-4-yl]amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide has a molecular weight of 1756.03 g/mol, XLogP of 13.66, 27 rotatable bonds, 16 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(1-benzofuran-7-ylamino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-N-methylbenzamide;N-methyl-2-[[2-[[1-(3-morpholin-4-ylpropyl)indol-4-yl]amino]-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide;N-methyl-2-[[2-(3,4,5-trimethoxyanilino)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 157330169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).