7-chloro-N-[4-(dimethylamino)butyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-N-[2-(dimethylamino)ethyl]-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide;methyl 7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate

C88H97Cl3N30O5 — CID 159472979

About 7-chloro-N-[4-(dimethylamino)butyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-N-[2-(dimethylamino)ethyl]-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide;methyl 7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate

7-chloro-N-[4-(dimethylamino)butyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-N-[2-(dimethylamino)ethyl]-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide;methyl 7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate (PubChem CID 159472979) has the molecular formula C88H97Cl3N30O5 and a molecular weight of 1761.31 g/mol. Its IUPAC name is 7-chloro-N-[4-(dimethylamino)butyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-N-[2-(dimethylamino)ethyl]-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide;methyl 7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate.

Molecular Properties

• Compound Name: 7-chloro-N-[4-(dimethylamino)butyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-N-[2-(dimethylamino)ethyl]-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide;methyl 7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate
• PubChem CID: 159472979
• Molecular Formula: C88H97Cl3N30O5
• Molecular Weight: 1761.31 g/mol
• Exact Mass: 1758.73
• IUPAC Name: 7-chloro-N-[4-(dimethylamino)butyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-N-[2-(dimethylamino)ethyl]-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide;methyl 7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate
• SMILES: CN(C)CCCCNC(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c2[nH]1.CN(C)CCN(C)C(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c2[nH]1.CN1CCC(CNC(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(Cl)c3[nH]2)CC1.COC(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(C)c2[nH]1
• InChI: InChI=1S/C24H27ClN8O.C23H27ClN8O.C22H25ClN8O.C19H18N6O2/c1-32-7-4-15(5-8-32)12-27-23(34)20-10-16-9-17(11-18(25)22(16)30-20)29-24-26-6-3-19(31-24)21-13-33(2)14-28-21;1-31(2)9-5-4-7-25-22(33)19-11-15-10-16(12-17(24)21(15)29-19)28-23-26-8-6-18(30-23)20-13-32(3)14-27-20;1-29(2)7-8-31(4)21(32)18-10-14-9-15(11-16(23)20(14)27-18)26-22-24-6-5-17(28-22)19-12-30(3)13-25-19;1-11-6-13(7-12-8-15(18(26)27-3)23-17(11)12)22-19-20-5-4-14(24-19)16-9-25(2)10-21-16/h3,6,9-11,13-15,30H,4-5,7-8,12H2,1-2H3,(H,27,34)(H,26,29,31);6,8,10-14,29H,4-5,7,9H2,1-3H3,(H,25,33)(H,26,28,30);5-6,9-13,27H,7-8H2,1-4H3,(H,24,26,28);4-10,23H,1-3H3,(H,20,22,24)
• InChIKey: LWAKQGKPUWVDOY-UHFFFAOYSA-N
• XLogP: 14.24
• TPSA: 400.21 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 26
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1761.31
LogP ≤ 5	14.24
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[4-(dimethylamino)butyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-N-[2-(dimethylamino)ethyl]-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide;methyl 7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate?

The IUPAC name of 7-chloro-N-[4-(dimethylamino)butyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-N-[2-(dimethylamino)ethyl]-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide;methyl 7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate (CID 159472979) is 7-chloro-N-[4-(dimethylamino)butyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-N-[2-(dimethylamino)ethyl]-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide;methyl 7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate.

What is the SMILES notation for 7-chloro-N-[4-(dimethylamino)butyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-N-[2-(dimethylamino)ethyl]-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide;methyl 7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate?

The canonical SMILES for 7-chloro-N-[4-(dimethylamino)butyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-N-[2-(dimethylamino)ethyl]-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide;methyl 7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate is CN(C)CCCCNC(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c2[nH]1.CN(C)CCN(C)C(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c2[nH]1.CN1CCC(CNC(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(Cl)c3[nH]2)CC1.COC(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(C)c2[nH]1.

What is the InChIKey of 7-chloro-N-[4-(dimethylamino)butyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-N-[2-(dimethylamino)ethyl]-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide;methyl 7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate?

The InChIKey is LWAKQGKPUWVDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN8O.C23H27ClN8O.C22H25ClN8O.C19H18N6O2/c1-32-7-4-15(5-8-32)12-27-23(34)20-10-16-9-17(11-18(25)22(16)30-20)29-24-26-6-3-19(31-24)21-13-33(2)14-28-21;1-31(2)9-5-4-7-25-22(33)19-11-15-10-16(12-17(24)21(15)29-19)28-23-26-8-6-18(30-23)20-13-32(3)14-27-20;1-29(2)7-8-31(4)21(32)18-10-14-9-15(11-16(23)20(14)27-18)26-22-24-6-5-17(28-22)19-12-30(3)13-25-19;1-11-6-13(7-12-8-15(18(26)27-3)23-17(11)12)22-19-20-5-4-14(24-19)16-9-25(2)10-21-16/h3,6,9-11,13-15,30H,4-5,7-8,12H2,1-2H3,(H,27,34)(H,26,29,31);6,8,10-14,29H,4-5,7,9H2,1-3H3,(H,25,33)(H,26,28,30);5-6,9-13,27H,7-8H2,1-4H3,(H,24,26,28);4-10,23H,1-3H3,(H,20,22,24).

What are the key properties of 7-chloro-N-[4-(dimethylamino)butyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-N-[2-(dimethylamino)ethyl]-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide;methyl 7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate?

7-chloro-N-[4-(dimethylamino)butyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-N-[2-(dimethylamino)ethyl]-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide;methyl 7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate has a molecular weight of 1761.31 g/mol, XLogP of 14.24, 26 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-N-[4-(dimethylamino)butyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-N-[2-(dimethylamino)ethyl]-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]-1H-indole-2-carboxamide;methyl 7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylate is sourced from PubChem (CID 159472979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).