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)piperazin-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

C142H139Cl6FN24O14 — CID 159439398

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)piperazin-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)N1CCN(c2ccncn2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCNC(CO)C1
InChIInChI=1S/C27H23ClFN3O3.C26H29ClN4O2.C24H21ClN6O2.C23H24ClN3O2.C21H21ClN4O3.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;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;1-12-11-23-6-7-26(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);1-4,7,9,14,18,23,27H,5-6,8,10-11H2,(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
InChIKeyLRZCCMUWDLPKJJ-MBZKUCCYSA-N
MW2637.54 g/mol
LogP22.69
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)piperazin-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)piperazin-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 159439398) has the molecular formula C142H139Cl6FN24O14 and a molecular weight of 2637.54 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)piperazin-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)piperazin-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 CID159439398
Molecular FormulaC142H139Cl6FN24O14
Molecular Weight2637.54 g/mol
Exact Mass2632.90
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)piperazin-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)N1CCN(c2ccncn2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCNC(CO)C1
InChIInChI=1S/C27H23ClFN3O3.C26H29ClN4O2.C24H21ClN6O2.C23H24ClN3O2.C21H21ClN4O3.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;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;1-12-11-23-6-7-26(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);1-4,7,9,14,18,23,27H,5-6,8,10-11H2,(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
InChIKeyLRZCCMUWDLPKJJ-MBZKUCCYSA-N
XLogP22.69
TPSA454.89 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds17
Heavy Atoms187
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002637.54
LogP ≤ 522.69
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

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)piperazin-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

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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)piperazin-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)piperazin-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 159439398) 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)piperazin-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)piperazin-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)piperazin-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)N1CCN(c2ccncn2)CC1.O=C(C1Cc2cc(Cl)cc(-c3ccnc4[nH]ccc34)c2O1)N1CCNC(CO)C1.
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)piperazin-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 LRZCCMUWDLPKJJ-MBZKUCCYSA-N. The full InChI is InChI=1S/C27H23ClFN3O3.C26H29ClN4O2.C24H21ClN6O2.C23H24ClN3O2.C21H21ClN4O3.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;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;1-12-11-23-6-7-26(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);1-4,7,9,14,18,23,27H,5-6,8,10-11H2,(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)piperazin-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)piperazin-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 2637.54 g/mol, XLogP of 22.69, 17 rotatable bonds, 11 hydrogen bond donors, and 26 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)piperazin-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 159439398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).