7-azaspiro[3.5]nonan-7-yl-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;5-chloro-N-(3-methylcyclohexyl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;[4-(2-chloro-4-methylphenyl)-4-hydroxypiperidin-1-yl]-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone

C128H128Cl6N18O11 — CID 158020097

About 7-azaspiro[3.5]nonan-7-yl-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;5-chloro-N-(3-methylcyclohexyl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;[4-(2-chloro-4-methylphenyl)-4-hydroxypiperidin-1-yl]-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone

7-azaspiro[3.5]nonan-7-yl-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;5-chloro-N-(3-methylcyclohexyl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;[4-(2-chloro-4-methylphenyl)-4-hydroxypiperidin-1-yl]-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 158020097) has the molecular formula C128H128Cl6N18O11 and a molecular weight of 2307.26 g/mol. Its IUPAC name is 7-azaspiro[3.5]nonan-7-yl-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;5-chloro-N-(3-methylcyclohexyl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;[4-(2-chloro-4-methylphenyl)-4-hydroxypiperidin-1-yl]-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: 7-azaspiro[3.5]nonan-7-yl-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;5-chloro-N-(3-methylcyclohexyl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;[4-(2-chloro-4-methylphenyl)-4-hydroxypiperidin-1-yl]-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone
• PubChem CID: 158020097
• Molecular Formula: C128H128Cl6N18O11
• Molecular Weight: 2307.26 g/mol
• Exact Mass: 2302.81
• IUPAC Name: 7-azaspiro[3.5]nonan-7-yl-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;5-chloro-N-(3-methylcyclohexyl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;[4-(2-chloro-4-methylphenyl)-4-hydroxypiperidin-1-yl]-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone
• SMILES: CC1CCCC(NC(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)C1.CN1CCC(CN2CCN(C(=O)C3Cc4cc(Cl)cc(-c5ccnc6[nH]ccc56)c4O3)CC2)CC1.Cc1ccc(C2(O)CCN(C(=O)C3Cc4cc(Cl)cc(-c5ccnc6[nH]ccc56)c4O3)CC2)c(Cl)c1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC2(CCC2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCN(c2ccccc2)CC1
• InChI: InChI=1S/C28H25Cl2N3O3.C27H32ClN5O2.C26H23ClN4O2.C24H24ClN3O2.C23H24ClN3O2/c1-16-2-3-22(23(30)12-16)28(35)6-10-33(11-7-28)27(34)24-14-17-13-18(29)15-21(25(17)36-24)19-4-8-31-26-20(19)5-9-32-26;1-31-8-4-18(5-9-31)17-32-10-12-33(13-11-32)27(34)24-15-19-14-20(28)16-23(25(19)35-24)21-2-6-29-26-22(21)3-7-30-26;27-18-14-17-15-23(26(32)31-12-10-30(11-13-31)19-4-2-1-3-5-19)33-24(17)22(16-18)20-6-8-28-25-21(20)7-9-29-25;25-16-12-15-13-20(23(29)28-10-6-24(7-11-28)4-1-5-24)30-21(15)19(14-16)17-2-8-26-22-18(17)3-9-27-22;1-13-3-2-4-16(9-13)27-23(28)20-11-14-10-15(24)12-19(21(14)29-20)17-5-7-25-22-18(17)6-8-26-22/h2-5,8-9,12-13,15,24,35H,6-7,10-11,14H2,1H3,(H,31,32);2-3,6-7,14,16,18,24H,4-5,8-13,15,17H2,1H3,(H,29,30);1-9,14,16,23H,10-13,15H2,(H,28,29);2-3,8-9,12,14,20H,1,4-7,10-11,13H2,(H,26,27);5-8,10,12-13,16,20H,2-4,9,11H2,1H3,(H,25,26)(H,27,28)
• InChIKey: FFYMOFAQMCCWQW-UHFFFAOYSA-N
• XLogP: 23.73
• TPSA: 329.84 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2307.26
LogP ≤ 5	23.73
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 7-azaspiro[3.5]nonan-7-yl-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;5-chloro-N-(3-methylcyclohexyl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;[4-(2-chloro-4-methylphenyl)-4-hydroxypiperidin-1-yl]-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone?

The IUPAC name of 7-azaspiro[3.5]nonan-7-yl-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;5-chloro-N-(3-methylcyclohexyl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;[4-(2-chloro-4-methylphenyl)-4-hydroxypiperidin-1-yl]-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone (CID 158020097) is 7-azaspiro[3.5]nonan-7-yl-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;5-chloro-N-(3-methylcyclohexyl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;[4-(2-chloro-4-methylphenyl)-4-hydroxypiperidin-1-yl]-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone.

What is the SMILES notation for 7-azaspiro[3.5]nonan-7-yl-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;5-chloro-N-(3-methylcyclohexyl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;[4-(2-chloro-4-methylphenyl)-4-hydroxypiperidin-1-yl]-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone?

The canonical SMILES for 7-azaspiro[3.5]nonan-7-yl-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;5-chloro-N-(3-methylcyclohexyl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;[4-(2-chloro-4-methylphenyl)-4-hydroxypiperidin-1-yl]-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone is CC1CCCC(NC(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)C1.CN1CCC(CN2CCN(C(=O)C3Cc4cc(Cl)cc(-c5ccnc6[nH]ccc56)c4O3)CC2)CC1.Cc1ccc(C2(O)CCN(C(=O)C3Cc4cc(Cl)cc(-c5ccnc6[nH]ccc56)c4O3)CC2)c(Cl)c1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC2(CCC2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCN(c2ccccc2)CC1.

What is the InChIKey of 7-azaspiro[3.5]nonan-7-yl-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;5-chloro-N-(3-methylcyclohexyl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;[4-(2-chloro-4-methylphenyl)-4-hydroxypiperidin-1-yl]-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone?

The InChIKey is FFYMOFAQMCCWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25Cl2N3O3.C27H32ClN5O2.C26H23ClN4O2.C24H24ClN3O2.C23H24ClN3O2/c1-16-2-3-22(23(30)12-16)28(35)6-10-33(11-7-28)27(34)24-14-17-13-18(29)15-21(25(17)36-24)19-4-8-31-26-20(19)5-9-32-26;1-31-8-4-18(5-9-31)17-32-10-12-33(13-11-32)27(34)24-15-19-14-20(28)16-23(25(19)35-24)21-2-6-29-26-22(21)3-7-30-26;27-18-14-17-15-23(26(32)31-12-10-30(11-13-31)19-4-2-1-3-5-19)33-24(17)22(16-18)20-6-8-28-25-21(20)7-9-29-25;25-16-12-15-13-20(23(29)28-10-6-24(7-11-28)4-1-5-24)30-21(15)19(14-16)17-2-8-26-22-18(17)3-9-27-22;1-13-3-2-4-16(9-13)27-23(28)20-11-14-10-15(24)12-19(21(14)29-20)17-5-7-25-22-18(17)6-8-26-22/h2-5,8-9,12-13,15,24,35H,6-7,10-11,14H2,1H3,(H,31,32);2-3,6-7,14,16,18,24H,4-5,8-13,15,17H2,1H3,(H,29,30);1-9,14,16,23H,10-13,15H2,(H,28,29);2-3,8-9,12,14,20H,1,4-7,10-11,13H2,(H,26,27);5-8,10,12-13,16,20H,2-4,9,11H2,1H3,(H,25,26)(H,27,28).

What are the key properties of 7-azaspiro[3.5]nonan-7-yl-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;5-chloro-N-(3-methylcyclohexyl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;[4-(2-chloro-4-methylphenyl)-4-hydroxypiperidin-1-yl]-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone?

7-azaspiro[3.5]nonan-7-yl-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;5-chloro-N-(3-methylcyclohexyl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;[4-(2-chloro-4-methylphenyl)-4-hydroxypiperidin-1-yl]-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 2307.26 g/mol, XLogP of 23.73, 15 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 7-azaspiro[3.5]nonan-7-yl-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;5-chloro-N-(3-methylcyclohexyl)-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;[4-(2-chloro-4-methylphenyl)-4-hydroxypiperidin-1-yl]-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 158020097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).