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;[4-(2-chloro-4-fluorophenyl)-4-methylpiperidin-1-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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperidin-1-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-piperidin-1-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone

C175H177Cl8FN26O15 — CID 157329508

IUPAC7-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;[4-(2-chloro-4-fluorophenyl)-4-methylpiperidin-1-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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperidin-1-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-piperidin-1-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCC1(c2ccc(F)cc2Cl)CCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)CC1.CC1CCCC(NC(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)C1.CN1CCC(CN2CCN(C(=O)C3Cc4cc(Cl)cc(-c5ccnc6[nH]ccc56)c4O3)CC2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(N2CCCCC2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC2(CCC2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCCC(CO)C1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCN(c2cccnc2)CC1
InChIInChI=1S/C28H24Cl2FN3O2.C27H32ClN5O2.C26H29ClN4O2.C25H22ClN5O2.C24H24ClN3O2.C23H24ClN3O2.C22H22ClN3O3/c1-28(22-3-2-18(31)15-23(22)30)6-10-34(11-7-28)27(35)24-13-16-12-17(29)14-21(25(16)36-24)19-4-8-32-26-20(19)5-9-33-26;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)31-12-6-19(7-13-31)30-10-2-1-3-11-30)33-24(17)22(16-18)20-4-8-28-25-21(20)5-9-29-25;26-17-12-16-13-22(25(32)31-10-8-30(9-11-31)18-2-1-5-27-15-18)33-23(16)21(14-17)19-3-6-28-24-20(19)4-7-29-24;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;23-15-8-14-9-19(22(28)26-7-1-2-13(11-26)12-27)29-20(14)18(10-15)16-3-5-24-21-17(16)4-6-25-21/h2-5,8-9,12,14-15,24H,6-7,10-11,13H2,1H3,(H,32,33);2-3,6-7,14,16,18,24H,4-5,8-13,15,17H2,1H3,(H,29,30);4-5,8-9,14,16,19,23H,1-3,6-7,10-13,15H2,(H,28,29);1-7,12,14-15,22H,8-11,13H2,(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);3-6,8,10,13,19,27H,1-2,7,9,11-12H2,(H,24,25)
InChIKeyBFCUHNXITWJNDK-UHFFFAOYSA-N
MW3187.13 g/mol
LogP32.11
Rot. Bonds21

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;[4-(2-chloro-4-fluorophenyl)-4-methylpiperidin-1-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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperidin-1-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-piperidin-1-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-3-ylpiperazin-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;[4-(2-chloro-4-fluorophenyl)-4-methylpiperidin-1-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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperidin-1-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-piperidin-1-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 157329508) has the molecular formula C175H177Cl8FN26O15 and a molecular weight of 3187.13 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;[4-(2-chloro-4-fluorophenyl)-4-methylpiperidin-1-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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperidin-1-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-piperidin-1-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name7-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;[4-(2-chloro-4-fluorophenyl)-4-methylpiperidin-1-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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperidin-1-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-piperidin-1-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID157329508
Molecular FormulaC175H177Cl8FN26O15
Molecular Weight3187.13 g/mol
Exact Mass3181.14
IUPAC Name7-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;[4-(2-chloro-4-fluorophenyl)-4-methylpiperidin-1-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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperidin-1-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-piperidin-1-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCC1(c2ccc(F)cc2Cl)CCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)CC1.CC1CCCC(NC(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)C1.CN1CCC(CN2CCN(C(=O)C3Cc4cc(Cl)cc(-c5ccnc6[nH]ccc56)c4O3)CC2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(N2CCCCC2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC2(CCC2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCCC(CO)C1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCN(c2cccnc2)CC1
InChIInChI=1S/C28H24Cl2FN3O2.C27H32ClN5O2.C26H29ClN4O2.C25H22ClN5O2.C24H24ClN3O2.C23H24ClN3O2.C22H22ClN3O3/c1-28(22-3-2-18(31)15-23(22)30)6-10-34(11-7-28)27(35)24-13-16-12-17(29)14-21(25(16)36-24)19-4-8-32-26-20(19)5-9-33-26;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)31-12-6-19(7-13-31)30-10-2-1-3-11-30)33-24(17)22(16-18)20-4-8-28-25-21(20)5-9-29-25;26-17-12-16-13-22(25(32)31-10-8-30(9-11-31)18-2-1-5-27-15-18)33-23(16)21(14-17)19-3-6-28-24-20(19)4-7-29-24;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;23-15-8-14-9-19(22(28)26-7-1-2-13(11-26)12-27)29-20(14)18(10-15)16-3-5-24-21-17(16)4-6-25-21/h2-5,8-9,12,14-15,24H,6-7,10-11,13H2,1H3,(H,32,33);2-3,6-7,14,16,18,24H,4-5,8-13,15,17H2,1H3,(H,29,30);4-5,8-9,14,16,19,23H,1-3,6-7,10-13,15H2,(H,28,29);1-7,12,14-15,22H,8-11,13H2,(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);3-6,8,10,13,19,27H,1-2,7,9,11-12H2,(H,24,25)
InChIKeyBFCUHNXITWJNDK-UHFFFAOYSA-N
XLogP32.11
TPSA462.41 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms225
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003187.13
LogP ≤ 532.11
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Analyze 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;[4-(2-chloro-4-fluorophenyl)-4-methylpiperidin-1-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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperidin-1-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-piperidin-1-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone with MolForge

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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;[4-(2-chloro-4-fluorophenyl)-4-methylpiperidin-1-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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperidin-1-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-piperidin-1-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-3-ylpiperazin-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;[4-(2-chloro-4-fluorophenyl)-4-methylpiperidin-1-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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperidin-1-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-piperidin-1-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone (CID 157329508) 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;[4-(2-chloro-4-fluorophenyl)-4-methylpiperidin-1-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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperidin-1-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-piperidin-1-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-3-ylpiperazin-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;[4-(2-chloro-4-fluorophenyl)-4-methylpiperidin-1-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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperidin-1-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-piperidin-1-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-3-ylpiperazin-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;[4-(2-chloro-4-fluorophenyl)-4-methylpiperidin-1-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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperidin-1-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-piperidin-1-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone is CC1(c2ccc(F)cc2Cl)CCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)CC1.CC1CCCC(NC(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)C1.CN1CCC(CN2CCN(C(=O)C3Cc4cc(Cl)cc(-c5ccnc6[nH]ccc56)c4O3)CC2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(N2CCCCC2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC2(CCC2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCCC(CO)C1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCN(c2cccnc2)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;[4-(2-chloro-4-fluorophenyl)-4-methylpiperidin-1-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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperidin-1-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-piperidin-1-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is BFCUHNXITWJNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2FN3O2.C27H32ClN5O2.C26H29ClN4O2.C25H22ClN5O2.C24H24ClN3O2.C23H24ClN3O2.C22H22ClN3O3/c1-28(22-3-2-18(31)15-23(22)30)6-10-34(11-7-28)27(35)24-13-16-12-17(29)14-21(25(16)36-24)19-4-8-32-26-20(19)5-9-33-26;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)31-12-6-19(7-13-31)30-10-2-1-3-11-30)33-24(17)22(16-18)20-4-8-28-25-21(20)5-9-29-25;26-17-12-16-13-22(25(32)31-10-8-30(9-11-31)18-2-1-5-27-15-18)33-23(16)21(14-17)19-3-6-28-24-20(19)4-7-29-24;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;23-15-8-14-9-19(22(28)26-7-1-2-13(11-26)12-27)29-20(14)18(10-15)16-3-5-24-21-17(16)4-6-25-21/h2-5,8-9,12,14-15,24H,6-7,10-11,13H2,1H3,(H,32,33);2-3,6-7,14,16,18,24H,4-5,8-13,15,17H2,1H3,(H,29,30);4-5,8-9,14,16,19,23H,1-3,6-7,10-13,15H2,(H,28,29);1-7,12,14-15,22H,8-11,13H2,(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);3-6,8,10,13,19,27H,1-2,7,9,11-12H2,(H,24,25).
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;[4-(2-chloro-4-fluorophenyl)-4-methylpiperidin-1-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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperidin-1-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-piperidin-1-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-3-ylpiperazin-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;[4-(2-chloro-4-fluorophenyl)-4-methylpiperidin-1-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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperidin-1-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-piperidin-1-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 3187.13 g/mol, XLogP of 32.11, 21 rotatable bonds, 9 hydrogen bond donors, and 27 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;[4-(2-chloro-4-fluorophenyl)-4-methylpiperidin-1-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;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperidin-1-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-piperidin-1-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 157329508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).