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

C197H187Cl8FN32O17 — CID 159578167

IUPAC[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(dimethylamino)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-fluorophenyl)-4-methylpiperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(2-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-methyl-4-quinolin-5-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyrimidin-4-ylpiperazin-1-yl)methanone
SMILESCC1(c2cccc3ncccc23)CCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)CC1.CC1(c2ccccc2F)CCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)CC1.CC1CN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)CCN1.CC1CNCCN1C(=O)C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1.CN(C)C1CCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)CC1.Cc1ccccc1C1CCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCN(c2ccncn2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCNC(CO)C1
InChIInChI=1S/C31H27ClN4O2.C28H25ClFN3O2.C28H26ClN3O2.C24H21ClN6O2.C23H25ClN4O2.C21H21ClN4O3.2C21H21ClN4O2/c1-31(25-5-2-6-26-23(25)4-3-11-33-26)9-14-36(15-10-31)30(37)27-17-19-16-20(32)18-24(28(19)38-27)21-7-12-34-29-22(21)8-13-35-29;1-28(22-4-2-3-5-23(22)30)8-12-33(13-9-28)27(34)24-15-17-14-18(29)16-21(25(17)35-24)19-6-10-31-26-20(19)7-11-32-26;1-17-4-2-3-5-21(17)18-8-12-32(13-9-18)28(33)25-15-19-14-20(29)16-24(26(19)34-25)22-6-10-30-27-23(22)7-11-31-27;25-16-11-15-12-20(24(32)31-9-7-30(8-10-31)21-3-4-26-14-29-21)33-22(15)19(13-16)17-1-5-27-23-18(17)2-6-28-23;1-27(2)16-5-9-28(10-6-16)23(29)20-12-14-11-15(24)13-19(21(14)30-20)17-3-7-25-22-18(17)4-8-26-22;22-13-7-12-8-18(21(28)26-6-5-23-14(10-26)11-27)29-19(12)17(9-13)15-1-3-24-20-16(15)2-4-25-20;1-12-11-26(7-6-23-12)21(27)18-9-13-8-14(22)10-17(19(13)28-18)15-2-4-24-20-16(15)3-5-25-20;1-12-11-23-6-7-26(12)21(27)18-9-13-8-14(22)10-17(19(13)28-18)15-2-4-24-20-16(15)3-5-25-20/h2-8,11-13,16,18,27H,9-10,14-15,17H2,1H3,(H,34,35);2-7,10-11,14,16,24H,8-9,12-13,15H2,1H3,(H,31,32);2-7,10-11,14,16,18,25H,8-9,12-13,15H2,1H3,(H,30,31);1-6,11,13-14,20H,7-10,12H2,(H,27,28);3-4,7-8,11,13,16,20H,5-6,9-10,12H2,1-2H3,(H,25,26);1-4,7,9,14,18,23,27H,5-6,8,10-11H2,(H,24,25);2*2-5,8,10,12,18,23H,6-7,9,11H2,1H3,(H,24,25)
InChIKeyMIRATIXEBCPSFP-UHFFFAOYSA-N
MW3577.49 g/mol
LogP33.18
Rot. Bonds22

About [5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(dimethylamino)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-fluorophenyl)-4-methylpiperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(2-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-methyl-4-quinolin-5-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyrimidin-4-ylpiperazin-1-yl)methanone

[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(dimethylamino)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-fluorophenyl)-4-methylpiperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(2-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-methyl-4-quinolin-5-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyrimidin-4-ylpiperazin-1-yl)methanone (PubChem CID 159578167) has the molecular formula C197H187Cl8FN32O17 and a molecular weight of 3577.49 g/mol. Its IUPAC name is [5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(dimethylamino)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-fluorophenyl)-4-methylpiperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(2-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-methyl-4-quinolin-5-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyrimidin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(dimethylamino)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-fluorophenyl)-4-methylpiperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(2-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-methyl-4-quinolin-5-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyrimidin-4-ylpiperazin-1-yl)methanone
PubChem CID159578167
Molecular FormulaC197H187Cl8FN32O17
Molecular Weight3577.49 g/mol
Exact Mass3571.22
IUPAC Name[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(dimethylamino)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-fluorophenyl)-4-methylpiperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(2-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-methyl-4-quinolin-5-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyrimidin-4-ylpiperazin-1-yl)methanone
SMILESCC1(c2cccc3ncccc23)CCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)CC1.CC1(c2ccccc2F)CCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)CC1.CC1CN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)CCN1.CC1CNCCN1C(=O)C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1.CN(C)C1CCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)CC1.Cc1ccccc1C1CCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCN(c2ccncn2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCNC(CO)C1
InChIInChI=1S/C31H27ClN4O2.C28H25ClFN3O2.C28H26ClN3O2.C24H21ClN6O2.C23H25ClN4O2.C21H21ClN4O3.2C21H21ClN4O2/c1-31(25-5-2-6-26-23(25)4-3-11-33-26)9-14-36(15-10-31)30(37)27-17-19-16-20(32)18-24(28(19)38-27)21-7-12-34-29-22(21)8-13-35-29;1-28(22-4-2-3-5-23(22)30)8-12-33(13-9-28)27(34)24-15-17-14-18(29)16-21(25(17)35-24)19-6-10-31-26-20(19)7-11-32-26;1-17-4-2-3-5-21(17)18-8-12-32(13-9-18)28(33)25-15-19-14-20(29)16-24(26(19)34-25)22-6-10-30-27-23(22)7-11-31-27;25-16-11-15-12-20(24(32)31-9-7-30(8-10-31)21-3-4-26-14-29-21)33-22(15)19(13-16)17-1-5-27-23-18(17)2-6-28-23;1-27(2)16-5-9-28(10-6-16)23(29)20-12-14-11-15(24)13-19(21(14)30-20)17-3-7-25-22-18(17)4-8-26-22;22-13-7-12-8-18(21(28)26-6-5-23-14(10-26)11-27)29-19(12)17(9-13)15-1-3-24-20-16(15)2-4-25-20;1-12-11-26(7-6-23-12)21(27)18-9-13-8-14(22)10-17(19(13)28-18)15-2-4-24-20-16(15)3-5-25-20;1-12-11-23-6-7-26(12)21(27)18-9-13-8-14(22)10-17(19(13)28-18)15-2-4-24-20-16(15)3-5-25-20/h2-8,11-13,16,18,27H,9-10,14-15,17H2,1H3,(H,34,35);2-7,10-11,14,16,24H,8-9,12-13,15H2,1H3,(H,31,32);2-7,10-11,14,16,18,25H,8-9,12-13,15H2,1H3,(H,30,31);1-6,11,13-14,20H,7-10,12H2,(H,27,28);3-4,7-8,11,13,16,20H,5-6,9-10,12H2,1-2H3,(H,25,26);1-4,7,9,14,18,23,27H,5-6,8,10-11H2,(H,24,25);2*2-5,8,10,12,18,23H,6-7,9,11H2,1H3,(H,24,25)
InChIKeyMIRATIXEBCPSFP-UHFFFAOYSA-N
XLogP33.18
TPSA567.23 Ų
H-Bond Donors12
H-Bond Acceptors33
Rotatable Bonds22
Heavy Atoms255
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003577.49
LogP ≤ 533.18
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1033

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

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(dimethylamino)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-fluorophenyl)-4-methylpiperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(2-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-methyl-4-quinolin-5-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyrimidin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(dimethylamino)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-fluorophenyl)-4-methylpiperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(2-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-methyl-4-quinolin-5-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyrimidin-4-ylpiperazin-1-yl)methanone (CID 159578167) is [5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(dimethylamino)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-fluorophenyl)-4-methylpiperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(2-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-methyl-4-quinolin-5-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyrimidin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(dimethylamino)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-fluorophenyl)-4-methylpiperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(2-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-methyl-4-quinolin-5-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyrimidin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(dimethylamino)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-fluorophenyl)-4-methylpiperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(2-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-methyl-4-quinolin-5-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyrimidin-4-ylpiperazin-1-yl)methanone is CC1(c2cccc3ncccc23)CCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)CC1.CC1(c2ccccc2F)CCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)CC1.CC1CN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)CCN1.CC1CNCCN1C(=O)C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1.CN(C)C1CCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)CC1.Cc1ccccc1C1CCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCN(c2ccncn2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCNC(CO)C1.
What is the InChIKey of [5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(dimethylamino)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-fluorophenyl)-4-methylpiperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(2-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-methyl-4-quinolin-5-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyrimidin-4-ylpiperazin-1-yl)methanone?
The InChIKey is MIRATIXEBCPSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27ClN4O2.C28H25ClFN3O2.C28H26ClN3O2.C24H21ClN6O2.C23H25ClN4O2.C21H21ClN4O3.2C21H21ClN4O2/c1-31(25-5-2-6-26-23(25)4-3-11-33-26)9-14-36(15-10-31)30(37)27-17-19-16-20(32)18-24(28(19)38-27)21-7-12-34-29-22(21)8-13-35-29;1-28(22-4-2-3-5-23(22)30)8-12-33(13-9-28)27(34)24-15-17-14-18(29)16-21(25(17)35-24)19-6-10-31-26-20(19)7-11-32-26;1-17-4-2-3-5-21(17)18-8-12-32(13-9-18)28(33)25-15-19-14-20(29)16-24(26(19)34-25)22-6-10-30-27-23(22)7-11-31-27;25-16-11-15-12-20(24(32)31-9-7-30(8-10-31)21-3-4-26-14-29-21)33-22(15)19(13-16)17-1-5-27-23-18(17)2-6-28-23;1-27(2)16-5-9-28(10-6-16)23(29)20-12-14-11-15(24)13-19(21(14)30-20)17-3-7-25-22-18(17)4-8-26-22;22-13-7-12-8-18(21(28)26-6-5-23-14(10-26)11-27)29-19(12)17(9-13)15-1-3-24-20-16(15)2-4-25-20;1-12-11-26(7-6-23-12)21(27)18-9-13-8-14(22)10-17(19(13)28-18)15-2-4-24-20-16(15)3-5-25-20;1-12-11-23-6-7-26(12)21(27)18-9-13-8-14(22)10-17(19(13)28-18)15-2-4-24-20-16(15)3-5-25-20/h2-8,11-13,16,18,27H,9-10,14-15,17H2,1H3,(H,34,35);2-7,10-11,14,16,24H,8-9,12-13,15H2,1H3,(H,31,32);2-7,10-11,14,16,18,25H,8-9,12-13,15H2,1H3,(H,30,31);1-6,11,13-14,20H,7-10,12H2,(H,27,28);3-4,7-8,11,13,16,20H,5-6,9-10,12H2,1-2H3,(H,25,26);1-4,7,9,14,18,23,27H,5-6,8,10-11H2,(H,24,25);2*2-5,8,10,12,18,23H,6-7,9,11H2,1H3,(H,24,25).
What are the key properties of [5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(dimethylamino)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-fluorophenyl)-4-methylpiperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(2-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-methyl-4-quinolin-5-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyrimidin-4-ylpiperazin-1-yl)methanone?
[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(dimethylamino)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-fluorophenyl)-4-methylpiperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(2-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-methyl-4-quinolin-5-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyrimidin-4-ylpiperazin-1-yl)methanone has a molecular weight of 3577.49 g/mol, XLogP of 33.18, 22 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(dimethylamino)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-fluorophenyl)-4-methylpiperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[3-(hydroxymethyl)piperazin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-methylphenyl)piperidin-1-yl]methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(2-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-methylpiperazin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-methyl-4-quinolin-5-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyrimidin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 159578167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).