[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]-[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-hydroxy-4-naphthalen-1-ylpiperidin-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-pyridin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(1H-pyrrol-2-yl)piperidin-1-yl]methanone

C148H140Cl6N22O14 — CID 157474740

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]-[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-hydroxy-4-naphthalen-1-ylpiperidin-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-pyridin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(1H-pyrrol-2-yl)piperidin-1-yl]methanone
SMILESCC1CN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)CCN1.CN(C)C1CCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(O)(c2cccc3ccccc23)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(c2ccc[nH]2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(c2ccncc2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCCC(CO)C1
InChIInChI=1S/C31H26ClN3O3.C26H23ClN4O2.C25H23ClN4O2.C23H25ClN4O2.C22H22ClN3O3.C21H21ClN4O2/c32-21-16-20-17-27(38-28(20)25(18-21)23-8-12-33-29-24(23)9-13-34-29)30(36)35-14-10-31(37,11-15-35)26-7-3-5-19-4-1-2-6-22(19)26;27-19-13-18-14-23(26(32)31-11-5-17(6-12-31)16-1-7-28-8-2-16)33-24(18)22(15-19)20-3-9-29-25-21(20)4-10-30-25;26-17-12-16-13-22(25(31)30-10-5-15(6-11-30)21-2-1-7-27-21)32-23(16)20(14-17)18-3-8-28-24-19(18)4-9-29-24;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;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;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/h1-9,12-13,16,18,27,37H,10-11,14-15,17H2,(H,33,34);1-4,7-10,13,15,17,23H,5-6,11-12,14H2,(H,29,30);1-4,7-9,12,14-15,22,27H,5-6,10-11,13H2,(H,28,29);3-4,7-8,11,13,16,20H,5-6,9-10,12H2,1-2H3,(H,25,26);3-6,8,10,13,19,27H,1-2,7,9,11-12H2,(H,24,25);2-5,8,10,12,18,23H,6-7,9,11H2,1H3,(H,24,25)
InChIKeyBVLNPDPQDABXOB-UHFFFAOYSA-N
MW2663.61 g/mol
LogP25.92
Rot. Bonds17

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]-[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-hydroxy-4-naphthalen-1-ylpiperidin-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-pyridin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(1H-pyrrol-2-yl)piperidin-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]-[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-hydroxy-4-naphthalen-1-ylpiperidin-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-pyridin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(1H-pyrrol-2-yl)piperidin-1-yl]methanone (PubChem CID 157474740) has the molecular formula C148H140Cl6N22O14 and a molecular weight of 2663.61 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]-[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-hydroxy-4-naphthalen-1-ylpiperidin-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-pyridin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(1H-pyrrol-2-yl)piperidin-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]-[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-hydroxy-4-naphthalen-1-ylpiperidin-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-pyridin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(1H-pyrrol-2-yl)piperidin-1-yl]methanone
PubChem CID157474740
Molecular FormulaC148H140Cl6N22O14
Molecular Weight2663.61 g/mol
Exact Mass2658.91
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]-[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-hydroxy-4-naphthalen-1-ylpiperidin-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-pyridin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(1H-pyrrol-2-yl)piperidin-1-yl]methanone
SMILESCC1CN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)CCN1.CN(C)C1CCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(O)(c2cccc3ccccc23)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(c2ccc[nH]2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(c2ccncc2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCCC(CO)C1
InChIInChI=1S/C31H26ClN3O3.C26H23ClN4O2.C25H23ClN4O2.C23H25ClN4O2.C22H22ClN3O3.C21H21ClN4O2/c32-21-16-20-17-27(38-28(20)25(18-21)23-8-12-33-29-24(23)9-13-34-29)30(36)35-14-10-31(37,11-15-35)26-7-3-5-19-4-1-2-6-22(19)26;27-19-13-18-14-23(26(32)31-11-5-17(6-12-31)16-1-7-28-8-2-16)33-24(18)22(15-19)20-3-9-29-25-21(20)4-10-30-25;26-17-12-16-13-22(25(31)30-10-5-15(6-11-30)21-2-1-7-27-21)32-23(16)20(14-17)18-3-8-28-24-19(18)4-9-29-24;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;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;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/h1-9,12-13,16,18,27,37H,10-11,14-15,17H2,(H,33,34);1-4,7-10,13,15,17,23H,5-6,11-12,14H2,(H,29,30);1-4,7-9,12,14-15,22,27H,5-6,10-11,13H2,(H,28,29);3-4,7-8,11,13,16,20H,5-6,9-10,12H2,1-2H3,(H,25,26);3-6,8,10,13,19,27H,1-2,7,9,11-12H2,(H,24,25);2-5,8,10,12,18,23H,6-7,9,11H2,1H3,(H,24,25)
InChIKeyBVLNPDPQDABXOB-UHFFFAOYSA-N
XLogP25.92
TPSA433.73 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms190
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002663.61
LogP ≤ 525.92
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

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]-[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-hydroxy-4-naphthalen-1-ylpiperidin-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-pyridin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(1H-pyrrol-2-yl)piperidin-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]-[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-hydroxy-4-naphthalen-1-ylpiperidin-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-pyridin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(1H-pyrrol-2-yl)piperidin-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]-[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-hydroxy-4-naphthalen-1-ylpiperidin-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-pyridin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(1H-pyrrol-2-yl)piperidin-1-yl]methanone (CID 157474740) 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]-[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-hydroxy-4-naphthalen-1-ylpiperidin-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-pyridin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(1H-pyrrol-2-yl)piperidin-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]-[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-hydroxy-4-naphthalen-1-ylpiperidin-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-pyridin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(1H-pyrrol-2-yl)piperidin-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]-[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-hydroxy-4-naphthalen-1-ylpiperidin-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-pyridin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(1H-pyrrol-2-yl)piperidin-1-yl]methanone is CC1CN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)CCN1.CN(C)C1CCN(C(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(O)(c2cccc3ccccc23)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(c2ccc[nH]2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(c2ccncc2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCCC(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]-[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-hydroxy-4-naphthalen-1-ylpiperidin-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-pyridin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(1H-pyrrol-2-yl)piperidin-1-yl]methanone?
The InChIKey is BVLNPDPQDABXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26ClN3O3.C26H23ClN4O2.C25H23ClN4O2.C23H25ClN4O2.C22H22ClN3O3.C21H21ClN4O2/c32-21-16-20-17-27(38-28(20)25(18-21)23-8-12-33-29-24(23)9-13-34-29)30(36)35-14-10-31(37,11-15-35)26-7-3-5-19-4-1-2-6-22(19)26;27-19-13-18-14-23(26(32)31-11-5-17(6-12-31)16-1-7-28-8-2-16)33-24(18)22(15-19)20-3-9-29-25-21(20)4-10-30-25;26-17-12-16-13-22(25(31)30-10-5-15(6-11-30)21-2-1-7-27-21)32-23(16)20(14-17)18-3-8-28-24-19(18)4-9-29-24;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;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;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/h1-9,12-13,16,18,27,37H,10-11,14-15,17H2,(H,33,34);1-4,7-10,13,15,17,23H,5-6,11-12,14H2,(H,29,30);1-4,7-9,12,14-15,22,27H,5-6,10-11,13H2,(H,28,29);3-4,7-8,11,13,16,20H,5-6,9-10,12H2,1-2H3,(H,25,26);3-6,8,10,13,19,27H,1-2,7,9,11-12H2,(H,24,25);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]-[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-hydroxy-4-naphthalen-1-ylpiperidin-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-pyridin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(1H-pyrrol-2-yl)piperidin-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]-[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-hydroxy-4-naphthalen-1-ylpiperidin-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-pyridin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(1H-pyrrol-2-yl)piperidin-1-yl]methanone has a molecular weight of 2663.61 g/mol, XLogP of 25.92, 17 rotatable bonds, 10 hydrogen bond donors, and 23 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]-[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-hydroxy-4-naphthalen-1-ylpiperidin-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-pyridin-4-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(1H-pyrrol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 157474740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).