(4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[7-(1-benzylpyrrolo[2,3-b]pyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-cyclobutylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C197H192Cl8N26O18 — CID 158289893

IUPAC(4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[7-(1-benzylpyrrolo[2,3-b]pyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-cyclobutylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESC=CCC1(C(=O)N2CCCCC2)Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1.CNC(=O)c1cc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2[nH]1.Cc1cc(-c2cc(Cl)cc3c2OC(C(=O)N2CCCCC2)C3)ccn1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]c(C5CC5)cc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(O)(Cc2ccccc2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCCC(C2CCC2)C1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCN(c2ccccn2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4c3ccn4Cc3ccccc3)c2O1)N1CCCCC1
InChIInChI=1S/C28H26ClN3O3.C28H26ClN3O2.C25H22ClN5O2.C25H26ClN3O2.2C24H24ClN3O2.C23H23ClN4O3.C20H21ClN2O2/c29-20-14-19-15-24(35-25(19)23(16-20)21-6-10-30-26-22(21)7-11-31-26)27(33)32-12-8-28(34,9-13-32)17-18-4-2-1-3-5-18;29-21-15-20-16-25(28(33)31-12-5-2-6-13-31)34-26(20)24(17-21)22-9-11-30-27-23(22)10-14-32(27)18-19-7-3-1-4-8-19;26-17-13-16-14-21(25(32)31-11-9-30(10-12-31)22-3-1-2-6-27-22)33-23(16)20(15-17)18-4-7-28-24-19(18)5-8-29-24;26-18-11-17-12-22(25(30)29-10-2-5-16(14-29)15-3-1-4-15)31-23(17)21(13-18)19-6-8-27-24-20(19)7-9-28-24;25-16-10-15-11-21(24(29)28-8-2-1-3-9-28)30-22(15)18(12-16)17-6-7-26-23-19(17)13-20(27-23)14-4-5-14;1-2-8-24(23(29)28-11-4-3-5-12-28)15-16-13-17(25)14-20(21(16)30-24)18-6-9-26-22-19(18)7-10-27-22;1-25-22(29)18-12-17-15(5-6-26-21(17)27-18)16-11-14(24)9-13-10-19(31-20(13)16)23(30)28-7-3-2-4-8-28;1-13-9-14(5-6-22-13)17-12-16(21)10-15-11-18(25-19(15)17)20(24)23-7-3-2-4-8-23/h1-7,10-11,14,16,24,34H,8-9,12-13,15,17H2,(H,30,31);1,3-4,7-11,14-15,17,25H,2,5-6,12-13,16,18H2;1-8,13,15,21H,9-12,14H2,(H,28,29);6-9,11,13,15-16,22H,1-5,10,12,14H2,(H,27,28);6-7,10,12-14,21H,1-5,8-9,11H2,(H,26,27);2,6-7,9-10,13-14H,1,3-5,8,11-12,15H2,(H,26,27);5-6,9,11-12,19H,2-4,7-8,10H2,1H3,(H,25,29)(H,26,27);5-6,9-10,12,18H,2-4,7-8,11H2,1H3
InChIKeyGLFMPRSUPVHQDY-UHFFFAOYSA-N
MW3495.49 g/mol
LogP37.47
Rot. Bonds26

About (4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[7-(1-benzylpyrrolo[2,3-b]pyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-cyclobutylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

(4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[7-(1-benzylpyrrolo[2,3-b]pyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-cyclobutylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 158289893) has the molecular formula C197H192Cl8N26O18 and a molecular weight of 3495.49 g/mol. Its IUPAC name is (4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[7-(1-benzylpyrrolo[2,3-b]pyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-cyclobutylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[7-(1-benzylpyrrolo[2,3-b]pyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-cyclobutylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID158289893
Molecular FormulaC197H192Cl8N26O18
Molecular Weight3495.49 g/mol
Exact Mass3489.24
IUPAC Name(4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[7-(1-benzylpyrrolo[2,3-b]pyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-cyclobutylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESC=CCC1(C(=O)N2CCCCC2)Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1.CNC(=O)c1cc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2[nH]1.Cc1cc(-c2cc(Cl)cc3c2OC(C(=O)N2CCCCC2)C3)ccn1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]c(C5CC5)cc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(O)(Cc2ccccc2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCCC(C2CCC2)C1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCN(c2ccccn2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4c3ccn4Cc3ccccc3)c2O1)N1CCCCC1
InChIInChI=1S/C28H26ClN3O3.C28H26ClN3O2.C25H22ClN5O2.C25H26ClN3O2.2C24H24ClN3O2.C23H23ClN4O3.C20H21ClN2O2/c29-20-14-19-15-24(35-25(19)23(16-20)21-6-10-30-26-22(21)7-11-31-26)27(33)32-12-8-28(34,9-13-32)17-18-4-2-1-3-5-18;29-21-15-20-16-25(28(33)31-12-5-2-6-13-31)34-26(20)24(17-21)22-9-11-30-27-23(22)10-14-32(27)18-19-7-3-1-4-8-19;26-17-13-16-14-21(25(32)31-11-9-30(10-12-31)22-3-1-2-6-27-22)33-23(16)20(15-17)18-4-7-28-24-19(18)5-8-29-24;26-18-11-17-12-22(25(30)29-10-2-5-16(14-29)15-3-1-4-15)31-23(17)21(13-18)19-6-8-27-24-20(19)7-9-28-24;25-16-10-15-11-21(24(29)28-8-2-1-3-9-28)30-22(15)18(12-16)17-6-7-26-23-19(17)13-20(27-23)14-4-5-14;1-2-8-24(23(29)28-11-4-3-5-12-28)15-16-13-17(25)14-20(21(16)30-24)18-6-9-26-22-19(18)7-10-27-22;1-25-22(29)18-12-17-15(5-6-26-21(17)27-18)16-11-14(24)9-13-10-19(31-20(13)16)23(30)28-7-3-2-4-8-28;1-13-9-14(5-6-22-13)17-12-16(21)10-15-11-18(25-19(15)17)20(24)23-7-3-2-4-8-23/h1-7,10-11,14,16,24,34H,8-9,12-13,15,17H2,(H,30,31);1,3-4,7-11,14-15,17,25H,2,5-6,12-13,16,18H2;1-8,13,15,21H,9-12,14H2,(H,28,29);6-9,11,13,15-16,22H,1-5,10,12,14H2,(H,27,28);6-7,10,12-14,21H,1-5,8-9,11H2,(H,26,27);2,6-7,9-10,13-14H,1,3-5,8,11-12,15H2,(H,26,27);5-6,9,11-12,19H,2-4,7-8,10H2,1H3,(H,25,29)(H,26,27);5-6,9-10,12,18H,2-4,7-8,11H2,1H3
InChIKeyGLFMPRSUPVHQDY-UHFFFAOYSA-N
XLogP37.47
TPSA504.57 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms249
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003495.49
LogP ≤ 537.47
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze (4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[7-(1-benzylpyrrolo[2,3-b]pyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-cyclobutylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[7-(1-benzylpyrrolo[2,3-b]pyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-cyclobutylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[7-(1-benzylpyrrolo[2,3-b]pyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-cyclobutylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 158289893) is (4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[7-(1-benzylpyrrolo[2,3-b]pyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-cyclobutylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[7-(1-benzylpyrrolo[2,3-b]pyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-cyclobutylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[7-(1-benzylpyrrolo[2,3-b]pyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-cyclobutylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is C=CCC1(C(=O)N2CCCCC2)Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1.CNC(=O)c1cc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCCCC3)C4)ccnc2[nH]1.Cc1cc(-c2cc(Cl)cc3c2OC(C(=O)N2CCCCC2)C3)ccn1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]c(C5CC5)cc34)c2O1)N1CCCCC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(O)(Cc2ccccc2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCCC(C2CCC2)C1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCN(c2ccccn2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4c3ccn4Cc3ccccc3)c2O1)N1CCCCC1.
What is the InChIKey of (4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[7-(1-benzylpyrrolo[2,3-b]pyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-cyclobutylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is GLFMPRSUPVHQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3O3.C28H26ClN3O2.C25H22ClN5O2.C25H26ClN3O2.2C24H24ClN3O2.C23H23ClN4O3.C20H21ClN2O2/c29-20-14-19-15-24(35-25(19)23(16-20)21-6-10-30-26-22(21)7-11-31-26)27(33)32-12-8-28(34,9-13-32)17-18-4-2-1-3-5-18;29-21-15-20-16-25(28(33)31-12-5-2-6-13-31)34-26(20)24(17-21)22-9-11-30-27-23(22)10-14-32(27)18-19-7-3-1-4-8-19;26-17-13-16-14-21(25(32)31-11-9-30(10-12-31)22-3-1-2-6-27-22)33-23(16)20(15-17)18-4-7-28-24-19(18)5-8-29-24;26-18-11-17-12-22(25(30)29-10-2-5-16(14-29)15-3-1-4-15)31-23(17)21(13-18)19-6-8-27-24-20(19)7-9-28-24;25-16-10-15-11-21(24(29)28-8-2-1-3-9-28)30-22(15)18(12-16)17-6-7-26-23-19(17)13-20(27-23)14-4-5-14;1-2-8-24(23(29)28-11-4-3-5-12-28)15-16-13-17(25)14-20(21(16)30-24)18-6-9-26-22-19(18)7-10-27-22;1-25-22(29)18-12-17-15(5-6-26-21(17)27-18)16-11-14(24)9-13-10-19(31-20(13)16)23(30)28-7-3-2-4-8-28;1-13-9-14(5-6-22-13)17-12-16(21)10-15-11-18(25-19(15)17)20(24)23-7-3-2-4-8-23/h1-7,10-11,14,16,24,34H,8-9,12-13,15,17H2,(H,30,31);1,3-4,7-11,14-15,17,25H,2,5-6,12-13,16,18H2;1-8,13,15,21H,9-12,14H2,(H,28,29);6-9,11,13,15-16,22H,1-5,10,12,14H2,(H,27,28);6-7,10,12-14,21H,1-5,8-9,11H2,(H,26,27);2,6-7,9-10,13-14H,1,3-5,8,11-12,15H2,(H,26,27);5-6,9,11-12,19H,2-4,7-8,10H2,1H3,(H,25,29)(H,26,27);5-6,9-10,12,18H,2-4,7-8,11H2,1H3.
What are the key properties of (4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[7-(1-benzylpyrrolo[2,3-b]pyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-cyclobutylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[7-(1-benzylpyrrolo[2,3-b]pyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-cyclobutylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 3495.49 g/mol, XLogP of 37.47, 26 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-4-hydroxypiperidin-1-yl)-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone;[7-(1-benzylpyrrolo[2,3-b]pyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;[5-chloro-2-prop-2-enyl-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3H-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(3-cyclobutylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 158289893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).