7-(3-bromopyrrolo[2,3-b]pyridin-1-yl)-2-cyclopentyl-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;diethyl(pyridin-3-yl)borane;(3-methylphenyl)boronic acid;(4-methylphenyl)boronic acid;pyridin-4-ylboronic acid;tributyl(pyridin-2-yl)stannane

C256H318B4BrN33O15Sn — CID 157456981

IUPAC7-(3-bromopyrrolo[2,3-b]pyridin-1-yl)-2-cyclopentyl-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;diethyl(pyridin-3-yl)borane;(3-methylphenyl)boronic acid;(4-methylphenyl)boronic acid;pyridin-4-ylboronic acid;tributyl(pyridin-2-yl)stannane
SMILESCCB(CC)c1cccnc1.CCCC[Sn](CCCC)(CCCC)c1ccccn1.Cc1ccc(-c2cn(CCCCCC(C(=O)NCc3ccccn3)C3CCCC3)c3ncccc23)cc1.Cc1ccc(B(O)O)cc1.Cc1cccc(-c2cn(CCCCCC(C(=O)NCc3ccccn3)C3CCCC3)c3ncccc23)c1.Cc1cccc(B(O)O)c1.O=C(NCc1ccccn1)C(CCCCCn1cc(-c2ccc(O)cc2)c2cccnc21)C1CCCC1.O=C(NCc1ccccn1)C(CCCCCn1cc(-c2cccc(O)c2)c2cccnc21)C1CCCC1.O=C(NCc1ccccn1)C(CCCCCn1cc(-c2ccccn2)c2cccnc21)C1CCCC1.O=C(NCc1ccccn1)C(CCCCCn1cc(-c2cccnc2)c2cccnc21)C1CCCC1.O=C(NCc1ccccn1)C(CCCCCn1cc(Br)c2cccnc21)C1CCCC1.OB(O)c1ccncc1
InChIInChI=1S/2C32H38N4O.2C31H36N4O2.2C30H35N5O.C25H31BrN4O.C9H14BN.2C7H9BO2.C5H6BNO2.C5H4N.3C4H9.Sn/c1-24-11-9-14-26(21-24)30-23-36(31-29(30)17-10-19-34-31)20-8-2-3-16-28(25-12-4-5-13-25)32(37)35-22-27-15-6-7-18-33-27;1-24-15-17-26(18-16-24)30-23-36(31-29(30)14-9-20-34-31)21-8-2-3-13-28(25-10-4-5-11-25)32(37)35-22-27-12-6-7-19-33-27;36-26-14-8-12-24(20-26)29-22-35(30-28(29)16-9-18-33-30)19-7-1-2-15-27(23-10-3-4-11-23)31(37)34-21-25-13-5-6-17-32-25;36-26-16-14-24(15-17-26)29-22-35(30-28(29)13-8-19-33-30)20-7-1-2-12-27(23-9-3-4-10-23)31(37)34-21-25-11-5-6-18-32-25;36-30(34-21-24-13-5-7-17-31-24)25(23-11-3-4-12-23)14-2-1-9-20-35-22-27(28-16-6-8-18-32-28)26-15-10-19-33-29(26)35;36-30(34-21-25-13-5-6-17-32-25)26(23-10-3-4-11-23)14-2-1-7-19-35-22-28(24-12-8-16-31-20-24)27-15-9-18-33-29(27)35;26-23-18-30(24-22(23)13-8-15-28-24)16-7-1-2-12-21(19-9-3-4-10-19)25(31)29-17-20-11-5-6-14-27-20;1-3-10(4-2)9-6-5-7-11-8-9;1-6-2-4-7(5-3-6)8(9)10;1-6-3-2-4-7(5-6)8(9)10;8-6(9)5-1-3-7-4-2-5;1-2-4-6-5-3-1;3*1-3-4-2;/h6-7,9-11,14-15,17-19,21,23,25,28H,2-5,8,12-13,16,20,22H2,1H3,(H,35,37);6-7,9,12,14-20,23,25,28H,2-5,8,10-11,13,21-22H2,1H3,(H,35,37);5-6,8-9,12-14,16-18,20,22-23,27,36H,1-4,7,10-11,15,19,21H2,(H,34,37);5-6,8,11,13-19,22-23,27,36H,1-4,7,9-10,12,20-21H2,(H,34,37);5-8,10,13,15-19,22-23,25H,1-4,9,11-12,14,20-21H2,(H,34,36);5-6,8-9,12-13,15-18,20,22-23,26H,1-4,7,10-11,14,19,21H2,(H,34,36);5-6,8,11,13-15,18-19,21H,1-4,7,9-10,12,16-17H2,(H,29,31);5-8H,3-4H2,1-2H3;2*2-5,9-10H,1H3;1-4,8-9H;1-4H;3*1,3-4H2,2H3;
InChIKeyBTMAGNPFEMBFFB-UHFFFAOYSA-N
MW4339.44 g/mol
LogP50.46
Rot. Bonds92

About 7-(3-bromopyrrolo[2,3-b]pyridin-1-yl)-2-cyclopentyl-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;diethyl(pyridin-3-yl)borane;(3-methylphenyl)boronic acid;(4-methylphenyl)boronic acid;pyridin-4-ylboronic acid;tributyl(pyridin-2-yl)stannane

7-(3-bromopyrrolo[2,3-b]pyridin-1-yl)-2-cyclopentyl-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;diethyl(pyridin-3-yl)borane;(3-methylphenyl)boronic acid;(4-methylphenyl)boronic acid;pyridin-4-ylboronic acid;tributyl(pyridin-2-yl)stannane (PubChem CID 157456981) has the molecular formula C256H318B4BrN33O15Sn and a molecular weight of 4339.44 g/mol. Its IUPAC name is 7-(3-bromopyrrolo[2,3-b]pyridin-1-yl)-2-cyclopentyl-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;diethyl(pyridin-3-yl)borane;(3-methylphenyl)boronic acid;(4-methylphenyl)boronic acid;pyridin-4-ylboronic acid;tributyl(pyridin-2-yl)stannane.

Molecular Properties

Compound Name7-(3-bromopyrrolo[2,3-b]pyridin-1-yl)-2-cyclopentyl-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;diethyl(pyridin-3-yl)borane;(3-methylphenyl)boronic acid;(4-methylphenyl)boronic acid;pyridin-4-ylboronic acid;tributyl(pyridin-2-yl)stannane
PubChem CID157456981
Molecular FormulaC256H318B4BrN33O15Sn
Molecular Weight4339.44 g/mol
Exact Mass4337.37
IUPAC Name7-(3-bromopyrrolo[2,3-b]pyridin-1-yl)-2-cyclopentyl-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;diethyl(pyridin-3-yl)borane;(3-methylphenyl)boronic acid;(4-methylphenyl)boronic acid;pyridin-4-ylboronic acid;tributyl(pyridin-2-yl)stannane
SMILESCCB(CC)c1cccnc1.CCCC[Sn](CCCC)(CCCC)c1ccccn1.Cc1ccc(-c2cn(CCCCCC(C(=O)NCc3ccccn3)C3CCCC3)c3ncccc23)cc1.Cc1ccc(B(O)O)cc1.Cc1cccc(-c2cn(CCCCCC(C(=O)NCc3ccccn3)C3CCCC3)c3ncccc23)c1.Cc1cccc(B(O)O)c1.O=C(NCc1ccccn1)C(CCCCCn1cc(-c2ccc(O)cc2)c2cccnc21)C1CCCC1.O=C(NCc1ccccn1)C(CCCCCn1cc(-c2cccc(O)c2)c2cccnc21)C1CCCC1.O=C(NCc1ccccn1)C(CCCCCn1cc(-c2ccccn2)c2cccnc21)C1CCCC1.O=C(NCc1ccccn1)C(CCCCCn1cc(-c2cccnc2)c2cccnc21)C1CCCC1.O=C(NCc1ccccn1)C(CCCCCn1cc(Br)c2cccnc21)C1CCCC1.OB(O)c1ccncc1
InChIInChI=1S/2C32H38N4O.2C31H36N4O2.2C30H35N5O.C25H31BrN4O.C9H14BN.2C7H9BO2.C5H6BNO2.C5H4N.3C4H9.Sn/c1-24-11-9-14-26(21-24)30-23-36(31-29(30)17-10-19-34-31)20-8-2-3-16-28(25-12-4-5-13-25)32(37)35-22-27-15-6-7-18-33-27;1-24-15-17-26(18-16-24)30-23-36(31-29(30)14-9-20-34-31)21-8-2-3-13-28(25-10-4-5-11-25)32(37)35-22-27-12-6-7-19-33-27;36-26-14-8-12-24(20-26)29-22-35(30-28(29)16-9-18-33-30)19-7-1-2-15-27(23-10-3-4-11-23)31(37)34-21-25-13-5-6-17-32-25;36-26-16-14-24(15-17-26)29-22-35(30-28(29)13-8-19-33-30)20-7-1-2-12-27(23-9-3-4-10-23)31(37)34-21-25-11-5-6-18-32-25;36-30(34-21-24-13-5-7-17-31-24)25(23-11-3-4-12-23)14-2-1-9-20-35-22-27(28-16-6-8-18-32-28)26-15-10-19-33-29(26)35;36-30(34-21-25-13-5-6-17-32-25)26(23-10-3-4-11-23)14-2-1-7-19-35-22-28(24-12-8-16-31-20-24)27-15-9-18-33-29(27)35;26-23-18-30(24-22(23)13-8-15-28-24)16-7-1-2-12-21(19-9-3-4-10-19)25(31)29-17-20-11-5-6-14-27-20;1-3-10(4-2)9-6-5-7-11-8-9;1-6-2-4-7(5-3-6)8(9)10;1-6-3-2-4-7(5-6)8(9)10;8-6(9)5-1-3-7-4-2-5;1-2-4-6-5-3-1;3*1-3-4-2;/h6-7,9-11,14-15,17-19,21,23,25,28H,2-5,8,12-13,16,20,22H2,1H3,(H,35,37);6-7,9,12,14-20,23,25,28H,2-5,8,10-11,13,21-22H2,1H3,(H,35,37);5-6,8-9,12-14,16-18,20,22-23,27,36H,1-4,7,10-11,15,19,21H2,(H,34,37);5-6,8,11,13-19,22-23,27,36H,1-4,7,9-10,12,20-21H2,(H,34,37);5-8,10,13,15-19,22-23,25H,1-4,9,11-12,14,20-21H2,(H,34,36);5-6,8-9,12-13,15-18,20,22-23,26H,1-4,7,10-11,14,19,21H2,(H,34,36);5-6,8,11,13-15,18-19,21H,1-4,7,9-10,12,16-17H2,(H,29,31);5-8H,3-4H2,1-2H3;2*2-5,9-10H,1H3;1-4,8-9H;1-4H;3*1,3-4H2,2H3;
InChIKeyBTMAGNPFEMBFFB-UHFFFAOYSA-N
XLogP50.46
TPSA644.96 Ų
H-Bond Donors15
H-Bond Acceptors41
Rotatable Bonds92
Heavy Atoms310
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004339.44
LogP ≤ 550.46
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze 7-(3-bromopyrrolo[2,3-b]pyridin-1-yl)-2-cyclopentyl-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;diethyl(pyridin-3-yl)borane;(3-methylphenyl)boronic acid;(4-methylphenyl)boronic acid;pyridin-4-ylboronic acid;tributyl(pyridin-2-yl)stannane with MolForge

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Related Compounds

2-cyclopentyl-7-[3-(3-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-[3-(2-methoxyethoxy)phenyl]pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-[4-(2-methoxyethoxy)phenyl]pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;bis(2-methoxyethanol)
CID 157083580
7-(3-bromopyrrolo[2,3-b]pyridin-1-yl)-2-cyclopentyl-N-(pyridin-2-ylmethyl)heptanamide;[3-[tert-butyl(dimethyl)silyl]oxyphenyl]boronic acid;7-[3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrrolo[2,3-b]pyridin-1-yl]-2-cyclopentyl-N-(pyridin-2-ylmethyl)heptanamide
CID 159578360
6-(3-bromopyrrolo[2,3-b]pyridin-1-yl)-2-cyclohexyl-N-(pyridin-2-ylmethyl)hexanamide;2-cyclohexyl-6-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)hexanamide;2-cyclohexyl-N-(pyridin-2-ylmethyl)-6-(3-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)hexanamide;diethyl(pyridin-3-yl)borane;(4-methylphenyl)boronic acid
CID 160549802
2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide
CID 161004787
7-(3-bromopyrrolo[2,3-b]pyridin-1-yl)-2-cyclopentyl-N-(pyridin-2-ylmethyl)heptanamide;(4-butylphenyl)boronic acid;2-cyclopentyl-7-[3-(3-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;diethyl(pyridin-3-yl)borane;diiodo-dimethyl-oxo-lambda6-sulfane;(3-methylphenyl)boronic acid;pyridin-4-ylboronic acid;tributyl(pyridin-2-yl)stannane
CID 161812993

Frequently Asked Questions

What is the IUPAC name of 7-(3-bromopyrrolo[2,3-b]pyridin-1-yl)-2-cyclopentyl-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;diethyl(pyridin-3-yl)borane;(3-methylphenyl)boronic acid;(4-methylphenyl)boronic acid;pyridin-4-ylboronic acid;tributyl(pyridin-2-yl)stannane?
The IUPAC name of 7-(3-bromopyrrolo[2,3-b]pyridin-1-yl)-2-cyclopentyl-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;diethyl(pyridin-3-yl)borane;(3-methylphenyl)boronic acid;(4-methylphenyl)boronic acid;pyridin-4-ylboronic acid;tributyl(pyridin-2-yl)stannane (CID 157456981) is 7-(3-bromopyrrolo[2,3-b]pyridin-1-yl)-2-cyclopentyl-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;diethyl(pyridin-3-yl)borane;(3-methylphenyl)boronic acid;(4-methylphenyl)boronic acid;pyridin-4-ylboronic acid;tributyl(pyridin-2-yl)stannane.
What is the SMILES notation for 7-(3-bromopyrrolo[2,3-b]pyridin-1-yl)-2-cyclopentyl-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;diethyl(pyridin-3-yl)borane;(3-methylphenyl)boronic acid;(4-methylphenyl)boronic acid;pyridin-4-ylboronic acid;tributyl(pyridin-2-yl)stannane?
The canonical SMILES for 7-(3-bromopyrrolo[2,3-b]pyridin-1-yl)-2-cyclopentyl-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;diethyl(pyridin-3-yl)borane;(3-methylphenyl)boronic acid;(4-methylphenyl)boronic acid;pyridin-4-ylboronic acid;tributyl(pyridin-2-yl)stannane is CCB(CC)c1cccnc1.CCCC[Sn](CCCC)(CCCC)c1ccccn1.Cc1ccc(-c2cn(CCCCCC(C(=O)NCc3ccccn3)C3CCCC3)c3ncccc23)cc1.Cc1ccc(B(O)O)cc1.Cc1cccc(-c2cn(CCCCCC(C(=O)NCc3ccccn3)C3CCCC3)c3ncccc23)c1.Cc1cccc(B(O)O)c1.O=C(NCc1ccccn1)C(CCCCCn1cc(-c2ccc(O)cc2)c2cccnc21)C1CCCC1.O=C(NCc1ccccn1)C(CCCCCn1cc(-c2cccc(O)c2)c2cccnc21)C1CCCC1.O=C(NCc1ccccn1)C(CCCCCn1cc(-c2ccccn2)c2cccnc21)C1CCCC1.O=C(NCc1ccccn1)C(CCCCCn1cc(-c2cccnc2)c2cccnc21)C1CCCC1.O=C(NCc1ccccn1)C(CCCCCn1cc(Br)c2cccnc21)C1CCCC1.OB(O)c1ccncc1.
What is the InChIKey of 7-(3-bromopyrrolo[2,3-b]pyridin-1-yl)-2-cyclopentyl-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;diethyl(pyridin-3-yl)borane;(3-methylphenyl)boronic acid;(4-methylphenyl)boronic acid;pyridin-4-ylboronic acid;tributyl(pyridin-2-yl)stannane?
The InChIKey is BTMAGNPFEMBFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H38N4O.2C31H36N4O2.2C30H35N5O.C25H31BrN4O.C9H14BN.2C7H9BO2.C5H6BNO2.C5H4N.3C4H9.Sn/c1-24-11-9-14-26(21-24)30-23-36(31-29(30)17-10-19-34-31)20-8-2-3-16-28(25-12-4-5-13-25)32(37)35-22-27-15-6-7-18-33-27;1-24-15-17-26(18-16-24)30-23-36(31-29(30)14-9-20-34-31)21-8-2-3-13-28(25-10-4-5-11-25)32(37)35-22-27-12-6-7-19-33-27;36-26-14-8-12-24(20-26)29-22-35(30-28(29)16-9-18-33-30)19-7-1-2-15-27(23-10-3-4-11-23)31(37)34-21-25-13-5-6-17-32-25;36-26-16-14-24(15-17-26)29-22-35(30-28(29)13-8-19-33-30)20-7-1-2-12-27(23-9-3-4-10-23)31(37)34-21-25-11-5-6-18-32-25;36-30(34-21-24-13-5-7-17-31-24)25(23-11-3-4-12-23)14-2-1-9-20-35-22-27(28-16-6-8-18-32-28)26-15-10-19-33-29(26)35;36-30(34-21-25-13-5-6-17-32-25)26(23-10-3-4-11-23)14-2-1-7-19-35-22-28(24-12-8-16-31-20-24)27-15-9-18-33-29(27)35;26-23-18-30(24-22(23)13-8-15-28-24)16-7-1-2-12-21(19-9-3-4-10-19)25(31)29-17-20-11-5-6-14-27-20;1-3-10(4-2)9-6-5-7-11-8-9;1-6-2-4-7(5-3-6)8(9)10;1-6-3-2-4-7(5-6)8(9)10;8-6(9)5-1-3-7-4-2-5;1-2-4-6-5-3-1;3*1-3-4-2;/h6-7,9-11,14-15,17-19,21,23,25,28H,2-5,8,12-13,16,20,22H2,1H3,(H,35,37);6-7,9,12,14-20,23,25,28H,2-5,8,10-11,13,21-22H2,1H3,(H,35,37);5-6,8-9,12-14,16-18,20,22-23,27,36H,1-4,7,10-11,15,19,21H2,(H,34,37);5-6,8,11,13-19,22-23,27,36H,1-4,7,9-10,12,20-21H2,(H,34,37);5-8,10,13,15-19,22-23,25H,1-4,9,11-12,14,20-21H2,(H,34,36);5-6,8-9,12-13,15-18,20,22-23,26H,1-4,7,10-11,14,19,21H2,(H,34,36);5-6,8,11,13-15,18-19,21H,1-4,7,9-10,12,16-17H2,(H,29,31);5-8H,3-4H2,1-2H3;2*2-5,9-10H,1H3;1-4,8-9H;1-4H;3*1,3-4H2,2H3;.
What are the key properties of 7-(3-bromopyrrolo[2,3-b]pyridin-1-yl)-2-cyclopentyl-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;diethyl(pyridin-3-yl)borane;(3-methylphenyl)boronic acid;(4-methylphenyl)boronic acid;pyridin-4-ylboronic acid;tributyl(pyridin-2-yl)stannane?
7-(3-bromopyrrolo[2,3-b]pyridin-1-yl)-2-cyclopentyl-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;diethyl(pyridin-3-yl)borane;(3-methylphenyl)boronic acid;(4-methylphenyl)boronic acid;pyridin-4-ylboronic acid;tributyl(pyridin-2-yl)stannane has a molecular weight of 4339.44 g/mol, XLogP of 50.46, 92 rotatable bonds, 15 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-bromopyrrolo[2,3-b]pyridin-1-yl)-2-cyclopentyl-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;2-cyclopentyl-N-(pyridin-2-ylmethyl)-7-(3-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)heptanamide;diethyl(pyridin-3-yl)borane;(3-methylphenyl)boronic acid;(4-methylphenyl)boronic acid;pyridin-4-ylboronic acid;tributyl(pyridin-2-yl)stannane is sourced from PubChem (CID 157456981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).