N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-purin-6-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[2-[(dimethylamino)methyl]quinolin-6-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide

C105H111N31O6 — CID 160905281

About N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-purin-6-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[2-[(dimethylamino)methyl]quinolin-6-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide

N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-purin-6-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[2-[(dimethylamino)methyl]quinolin-6-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide (PubChem CID 160905281) has the molecular formula C105H111N31O6 and a molecular weight of 1903.25 g/mol. Its IUPAC name is N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-purin-6-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[2-[(dimethylamino)methyl]quinolin-6-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-purin-6-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[2-[(dimethylamino)methyl]quinolin-6-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide
• PubChem CID: 160905281
• Molecular Formula: C105H111N31O6
• Molecular Weight: 1903.25 g/mol
• Exact Mass: 1901.93
• IUPAC Name: N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-purin-6-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[2-[(dimethylamino)methyl]quinolin-6-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc4c(ccn4CCN(C)C)c3)nc3[nH]ccc23)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc4c(ccn4CCN(C)C)c3)nc3nc[nH]c23)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc4c(ccn4CCN(C)C)c3)ncc2OC)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc4nc(CN(C)C)ccc4c3)ncc2OC)c1
• InChI: InChI=1S/C27H28N8O.C26H27N9O.C26H27N7O2.C26H29N7O2/c1-4-24(36)29-19-6-5-7-20(17-19)30-26-22-10-12-28-25(22)32-27(33-26)31-21-8-9-23-18(16-21)11-13-35(23)15-14-34(2)3;1-4-22(36)29-18-6-5-7-19(15-18)30-25-23-24(28-16-27-23)32-26(33-25)31-20-8-9-21-17(14-20)10-11-35(21)13-12-34(2)3;1-5-24(34)29-18-7-6-8-19(14-18)30-25-23(35-4)15-27-26(32-25)31-20-11-12-22-17(13-20)9-10-21(28-22)16-33(2)3;1-5-24(34)28-19-7-6-8-20(16-19)29-25-23(35-4)17-27-26(31-25)30-21-9-10-22-18(15-21)11-12-33(22)14-13-32(2)3/h4-13,16-17H,1,14-15H2,2-3H3,(H,29,36)(H3,28,30,31,32,33);4-11,14-16H,1,12-13H2,2-3H3,(H,29,36)(H3,27,28,30,31,32,33);5-15H,1,16H2,2-4H3,(H,29,34)(H2,27,30,31,32);5-12,15-17H,1,13-14H2,2-4H3,(H,28,34)(H2,27,29,30,31)
• InChIKey: SQBDDAPPHGUIMR-UHFFFAOYSA-N
• XLogP: 18.89
• TPSA: 419.33 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 31
• Rotatable Bonds: 37
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1903.25
LogP ≤ 5	18.89
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-purin-6-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[2-[(dimethylamino)methyl]quinolin-6-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide?

The IUPAC name of N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-purin-6-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[2-[(dimethylamino)methyl]quinolin-6-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide (CID 160905281) is N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-purin-6-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[2-[(dimethylamino)methyl]quinolin-6-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide.

What is the SMILES notation for N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-purin-6-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[2-[(dimethylamino)methyl]quinolin-6-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide?

The canonical SMILES for N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-purin-6-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[2-[(dimethylamino)methyl]quinolin-6-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc4c(ccn4CCN(C)C)c3)nc3[nH]ccc23)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc4c(ccn4CCN(C)C)c3)nc3nc[nH]c23)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc4c(ccn4CCN(C)C)c3)ncc2OC)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc4nc(CN(C)C)ccc4c3)ncc2OC)c1.

What is the InChIKey of N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-purin-6-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[2-[(dimethylamino)methyl]quinolin-6-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide?

The InChIKey is SQBDDAPPHGUIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8O.C26H27N9O.C26H27N7O2.C26H29N7O2/c1-4-24(36)29-19-6-5-7-20(17-19)30-26-22-10-12-28-25(22)32-27(33-26)31-21-8-9-23-18(16-21)11-13-35(23)15-14-34(2)3;1-4-22(36)29-18-6-5-7-19(15-18)30-25-23-24(28-16-27-23)32-26(33-25)31-20-8-9-21-17(14-20)10-11-35(21)13-12-34(2)3;1-5-24(34)29-18-7-6-8-19(14-18)30-25-23(35-4)15-27-26(32-25)31-20-11-12-22-17(13-20)9-10-21(28-22)16-33(2)3;1-5-24(34)28-19-7-6-8-20(16-19)29-25-23(35-4)17-27-26(31-25)30-21-9-10-22-18(15-21)11-12-33(22)14-13-32(2)3/h4-13,16-17H,1,14-15H2,2-3H3,(H,29,36)(H3,28,30,31,32,33);4-11,14-16H,1,12-13H2,2-3H3,(H,29,36)(H3,27,28,30,31,32,33);5-15H,1,16H2,2-4H3,(H,29,34)(H2,27,30,31,32);5-12,15-17H,1,13-14H2,2-4H3,(H,28,34)(H2,27,29,30,31).

What are the key properties of N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-purin-6-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[2-[(dimethylamino)methyl]quinolin-6-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide?

N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-purin-6-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[2-[(dimethylamino)methyl]quinolin-6-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide has a molecular weight of 1903.25 g/mol, XLogP of 18.89, 37 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-purin-6-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[2-[[2-[(dimethylamino)methyl]quinolin-6-yl]amino]-5-methoxypyrimidin-4-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 160905281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).