5-chloro-N-[(1R)-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]-[4-(2-fluorophenyl)-4-hydroxypiperidin-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]-(2-methylpiperazin-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-pyrimidin-4-ylpiperazin-1-yl)methanone

C143H140Cl6FN23O14 — CID 157341809

IUPAC5-chloro-N-[(1R)-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]-[4-(2-fluorophenyl)-4-hydroxypiperidin-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]-(2-methylpiperazin-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-pyrimidin-4-ylpiperazin-1-yl)methanone
SMILESCC1CCC[C@@H](NC(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)C1.CC1CNCCN1C(=O)C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(N2CCCCC2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(O)(c2ccccc2F)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCCC(CO)C1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCN(c2ccncn2)CC1
InChIInChI=1S/C27H23ClFN3O3.C26H29ClN4O2.C24H21ClN6O2.C23H24ClN3O2.C22H22ClN3O3.C21H21ClN4O2/c28-17-13-16-14-23(35-24(16)20(15-17)18-5-9-30-25-19(18)6-10-31-25)26(33)32-11-7-27(34,8-12-32)21-3-1-2-4-22(21)29;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;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;1-13-3-2-4-16(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;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/h1-6,9-10,13,15,23,34H,7-8,11-12,14H2,(H,30,31);4-5,8-9,14,16,19,23H,1-3,6-7,10-13,15H2,(H,28,29);1-6,11,13-14,20H,7-10,12H2,(H,27,28);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);2-5,8,10,12,18,23H,6-7,9,11H2,1H3,(H,24,25)/t;;;13?,16-,20?;;/m...1../s1
InChIKeyBGMFEOFZCWROQT-MBZKUCCYSA-N
MW2636.56 g/mol
LogP24.13
Rot. Bonds17

About 5-chloro-N-[(1R)-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]-[4-(2-fluorophenyl)-4-hydroxypiperidin-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]-(2-methylpiperazin-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-pyrimidin-4-ylpiperazin-1-yl)methanone

5-chloro-N-[(1R)-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]-[4-(2-fluorophenyl)-4-hydroxypiperidin-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]-(2-methylpiperazin-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-pyrimidin-4-ylpiperazin-1-yl)methanone (PubChem CID 157341809) has the molecular formula C143H140Cl6FN23O14 and a molecular weight of 2636.56 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-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]-[4-(2-fluorophenyl)-4-hydroxypiperidin-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]-(2-methylpiperazin-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-pyrimidin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name5-chloro-N-[(1R)-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]-[4-(2-fluorophenyl)-4-hydroxypiperidin-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]-(2-methylpiperazin-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-pyrimidin-4-ylpiperazin-1-yl)methanone
PubChem CID157341809
Molecular FormulaC143H140Cl6FN23O14
Molecular Weight2636.56 g/mol
Exact Mass2631.91
IUPAC Name5-chloro-N-[(1R)-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]-[4-(2-fluorophenyl)-4-hydroxypiperidin-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]-(2-methylpiperazin-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-pyrimidin-4-ylpiperazin-1-yl)methanone
SMILESCC1CCC[C@@H](NC(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)C1.CC1CNCCN1C(=O)C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(N2CCCCC2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(O)(c2ccccc2F)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCCC(CO)C1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCN(c2ccncn2)CC1
InChIInChI=1S/C27H23ClFN3O3.C26H29ClN4O2.C24H21ClN6O2.C23H24ClN3O2.C22H22ClN3O3.C21H21ClN4O2/c28-17-13-16-14-23(35-24(16)20(15-17)18-5-9-30-25-19(18)6-10-31-25)26(33)32-11-7-27(34,8-12-32)21-3-1-2-4-22(21)29;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;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;1-13-3-2-4-16(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;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/h1-6,9-10,13,15,23,34H,7-8,11-12,14H2,(H,30,31);4-5,8-9,14,16,19,23H,1-3,6-7,10-13,15H2,(H,28,29);1-6,11,13-14,20H,7-10,12H2,(H,27,28);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);2-5,8,10,12,18,23H,6-7,9,11H2,1H3,(H,24,25)/t;;;13?,16-,20?;;/m...1../s1
InChIKeyBGMFEOFZCWROQT-MBZKUCCYSA-N
XLogP24.13
TPSA442.86 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002636.56
LogP ≤ 524.13
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Analyze 5-chloro-N-[(1R)-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]-[4-(2-fluorophenyl)-4-hydroxypiperidin-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]-(2-methylpiperazin-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-pyrimidin-4-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

[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 157341812
[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 158225807
[(2S)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 158225808
[4-(2-chloro-4-fluorophenyl)-4-hydroxypiperidin-1-yl]-[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 160129575
[4-(2-chloro-4-fluorophenyl)-4-hydroxypiperidin-1-yl]-[(2S)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 160129576
tert-butyl 4-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-carbonyl]piperazine-1-carboxylate;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone;bis(2,2,2-trifluoroacetaldehyde)
CID 160918861
[4-(2-chloro-4-fluorophenyl)-4-hydroxypiperidin-1-yl]-[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 162469934
5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-N-[(2R)-2-hydroxypropyl]-6-propan-2-yloxybenzamide;[5-[(1S)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[(1R)-1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-(4,4-difluoropiperidin-1-yl)methanone;[5-[1-(8-amino-1-methylimidazo[1,5-a]pyrazin-3-yl)ethyl]-3-chloro-2-fluoro-6-propan-2-yloxyphenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 163438914
[5-chloro-7-[7-(1-hydroxyethyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-[2-(1-hydroxyethyl)thieno[3,2-b]pyridin-7-yl]-2,3-dihydro-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]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone;[5-chloro-7-(1H-pyrrolo[3,2-b]pyridin-7-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 157100895
[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 157100899
[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 157215219
(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;[5-chloro-7-(2-methyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone;[5-chloro-7-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-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
CID 157310335

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-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]-[4-(2-fluorophenyl)-4-hydroxypiperidin-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]-(2-methylpiperazin-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-pyrimidin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of 5-chloro-N-[(1R)-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]-[4-(2-fluorophenyl)-4-hydroxypiperidin-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]-(2-methylpiperazin-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-pyrimidin-4-ylpiperazin-1-yl)methanone (CID 157341809) is 5-chloro-N-[(1R)-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]-[4-(2-fluorophenyl)-4-hydroxypiperidin-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]-(2-methylpiperazin-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-pyrimidin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for 5-chloro-N-[(1R)-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]-[4-(2-fluorophenyl)-4-hydroxypiperidin-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]-(2-methylpiperazin-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-pyrimidin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for 5-chloro-N-[(1R)-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]-[4-(2-fluorophenyl)-4-hydroxypiperidin-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]-(2-methylpiperazin-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-pyrimidin-4-ylpiperazin-1-yl)methanone is CC1CCC[C@@H](NC(=O)C2Cc3cc(Cl)cc(-c4ccnc5[nH]ccc45)c3O2)C1.CC1CNCCN1C(=O)C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(N2CCCCC2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCC(O)(c2ccccc2F)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCCC(CO)C1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCN(c2ccncn2)CC1.
What is the InChIKey of 5-chloro-N-[(1R)-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]-[4-(2-fluorophenyl)-4-hydroxypiperidin-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]-(2-methylpiperazin-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-pyrimidin-4-ylpiperazin-1-yl)methanone?
The InChIKey is BGMFEOFZCWROQT-MBZKUCCYSA-N. The full InChI is InChI=1S/C27H23ClFN3O3.C26H29ClN4O2.C24H21ClN6O2.C23H24ClN3O2.C22H22ClN3O3.C21H21ClN4O2/c28-17-13-16-14-23(35-24(16)20(15-17)18-5-9-30-25-19(18)6-10-31-25)26(33)32-11-7-27(34,8-12-32)21-3-1-2-4-22(21)29;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;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;1-13-3-2-4-16(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;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/h1-6,9-10,13,15,23,34H,7-8,11-12,14H2,(H,30,31);4-5,8-9,14,16,19,23H,1-3,6-7,10-13,15H2,(H,28,29);1-6,11,13-14,20H,7-10,12H2,(H,27,28);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);2-5,8,10,12,18,23H,6-7,9,11H2,1H3,(H,24,25)/t;;;13?,16-,20?;;/m...1../s1.
What are the key properties of 5-chloro-N-[(1R)-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]-[4-(2-fluorophenyl)-4-hydroxypiperidin-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]-(2-methylpiperazin-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-pyrimidin-4-ylpiperazin-1-yl)methanone?
5-chloro-N-[(1R)-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]-[4-(2-fluorophenyl)-4-hydroxypiperidin-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]-(2-methylpiperazin-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-pyrimidin-4-ylpiperazin-1-yl)methanone has a molecular weight of 2636.56 g/mol, XLogP of 24.13, 17 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-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]-[4-(2-fluorophenyl)-4-hydroxypiperidin-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]-(2-methylpiperazin-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-pyrimidin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 157341809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).