N-cyclopentyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]hexan-3-one

C122H128N22O19 — CID 159838568

About N-cyclopentyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]hexan-3-one

N-cyclopentyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]hexan-3-one (PubChem CID 159838568) has the molecular formula C122H128N22O19 and a molecular weight of 2206.50 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]hexan-3-one.

Molecular Properties

• Compound Name: N-cyclopentyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]hexan-3-one
• PubChem CID: 159838568
• Molecular Formula: C122H128N22O19
• Molecular Weight: 2206.50 g/mol
• Exact Mass: 2204.97
• IUPAC Name: N-cyclopentyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]hexan-3-one
• SMILES: C=Cc1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1.CCCC(=O)CCc1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1.COC(=O)Cc1ccccc1-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc21.COc1cc(Nc2ncc3c(n2)N(c2ccccn2)CC3)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NC5CCCC5)c4)c3n2)cc(OC)c1OC
• InChI: InChI=1S/C28H31N5O4.C27H30N4O4.C24H24N4O5.C23H22N4O3.C20H21N5O3/c1-35-23-15-21(16-24(36-2)26(23)37-3)31-28-29-17-19-11-12-33(27(19)32-28)22-10-6-7-18(13-22)14-25(34)30-20-8-4-5-9-20;1-5-7-22(32)11-10-18-8-6-9-21(14-18)31-13-12-19-17-28-27(30-26(19)31)29-20-15-23(33-2)25(35-4)24(16-20)34-3;1-30-19-12-17(13-20(31-2)22(19)33-4)26-24-25-14-16-9-10-28(23(16)27-24)18-8-6-5-7-15(18)11-21(29)32-3;1-5-15-7-6-8-18(11-15)27-10-9-16-14-24-23(26-22(16)27)25-17-12-19(28-2)21(30-4)20(13-17)29-3;1-26-15-10-14(11-16(27-2)18(15)28-3)23-20-22-12-13-7-9-25(19(13)24-20)17-6-4-5-8-21-17/h6-7,10-13,15-17,20H,4-5,8-9,14H2,1-3H3,(H,30,34)(H,29,31,32);6,8-9,12-17H,5,7,10-11H2,1-4H3,(H,28,29,30);5-10,12-14H,11H2,1-4H3,(H,25,26,27);5-14H,1H2,2-4H3,(H,24,25,26);4-6,8,10-12H,7,9H2,1-3H3,(H,22,23,24)
• InChIKey: NOJVKQLTLHGCTO-UHFFFAOYSA-N
• XLogP: 22.36
• TPSA: 435.82 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 41
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2206.50
LogP ≤ 5	22.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]hexan-3-one?

The IUPAC name of N-cyclopentyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]hexan-3-one (CID 159838568) is N-cyclopentyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]hexan-3-one.

What is the SMILES notation for N-cyclopentyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]hexan-3-one?

The canonical SMILES for N-cyclopentyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]hexan-3-one is C=Cc1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1.CCCC(=O)CCc1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1.COC(=O)Cc1ccccc1-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc21.COc1cc(Nc2ncc3c(n2)N(c2ccccn2)CC3)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(CC(=O)NC5CCCC5)c4)c3n2)cc(OC)c1OC.

What is the InChIKey of N-cyclopentyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]hexan-3-one?

The InChIKey is NOJVKQLTLHGCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O4.C27H30N4O4.C24H24N4O5.C23H22N4O3.C20H21N5O3/c1-35-23-15-21(16-24(36-2)26(23)37-3)31-28-29-17-19-11-12-33(27(19)32-28)22-10-6-7-18(13-22)14-25(34)30-20-8-4-5-9-20;1-5-7-22(32)11-10-18-8-6-9-21(14-18)31-13-12-19-17-28-27(30-26(19)31)29-20-15-23(33-2)25(35-4)24(16-20)34-3;1-30-19-12-17(13-20(31-2)22(19)33-4)26-24-25-14-16-9-10-28(23(16)27-24)18-8-6-5-7-15(18)11-21(29)32-3;1-5-15-7-6-8-18(11-15)27-10-9-16-14-24-23(26-22(16)27)25-17-12-19(28-2)21(30-4)20(13-17)29-3;1-26-15-10-14(11-16(27-2)18(15)28-3)23-20-22-12-13-7-9-25(19(13)24-20)17-6-4-5-8-21-17/h6-7,10-13,15-17,20H,4-5,8-9,14H2,1-3H3,(H,30,34)(H,29,31,32);6,8-9,12-17H,5,7,10-11H2,1-4H3,(H,28,29,30);5-10,12-14H,11H2,1-4H3,(H,25,26,27);5-14H,1H2,2-4H3,(H,24,25,26);4-6,8,10-12H,7,9H2,1-3H3,(H,22,23,24).

What are the key properties of N-cyclopentyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]hexan-3-one?

N-cyclopentyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]hexan-3-one has a molecular weight of 2206.50 g/mol, XLogP of 22.36, 41 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-2-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetamide;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;methyl 2-[2-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]acetate;7-pyridin-2-yl-N-(3,4,5-trimethoxyphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]hexan-3-one is sourced from PubChem (CID 159838568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).