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

C102H125B2BrN14O6 — CID 160549802

IUPAC6-(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
SMILESCCB(CC)c1cccnc1.Cc1ccc(B(O)O)cc1.O=C(NCc1ccccn1)C(CCCCn1cc(-c2ccc(O)cc2)c2cccnc21)C1CCCCC1.O=C(NCc1ccccn1)C(CCCCn1cc(-c2cccnc2)c2cccnc21)C1CCCCC1.O=C(NCc1ccccn1)C(CCCCn1cc(Br)c2cccnc21)C1CCCCC1
InChIInChI=1S/C31H36N4O2.C30H35N5O.C25H31BrN4O.C9H14BN.C7H9BO2/c36-26-16-14-24(15-17-26)29-22-35(30-28(29)13-8-19-33-30)20-7-5-12-27(23-9-2-1-3-10-23)31(37)34-21-25-11-4-6-18-32-25;36-30(34-21-25-13-4-6-17-32-25)26(23-10-2-1-3-11-23)14-5-7-19-35-22-28(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)16-7-5-12-21(19-9-2-1-3-10-19)25(31)29-17-20-11-4-6-14-27-20;1-3-10(4-2)9-6-5-7-11-8-9;1-6-2-4-7(5-3-6)8(9)10/h4,6,8,11,13-19,22-23,27,36H,1-3,5,7,9-10,12,20-21H2,(H,34,37);4,6,8-9,12-13,15-18,20,22-23,26H,1-3,5,7,10-11,14,19,21H2,(H,34,36);4,6,8,11,13-15,18-19,21H,1-3,5,7,9-10,12,16-17H2,(H,29,31);5-8H,3-4H2,1-2H3;2-5,9-10H,1H3
InChIKeyQXXHZZPYMPLZCF-UHFFFAOYSA-N
MW1744.74 g/mol
LogP20.04
Rot. Bonds33

About 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

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 (PubChem CID 160549802) has the molecular formula C102H125B2BrN14O6 and a molecular weight of 1744.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID160549802
Molecular FormulaC102H125B2BrN14O6
Molecular Weight1744.74 g/mol
Exact Mass1742.93
IUPAC Name6-(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
SMILESCCB(CC)c1cccnc1.Cc1ccc(B(O)O)cc1.O=C(NCc1ccccn1)C(CCCCn1cc(-c2ccc(O)cc2)c2cccnc21)C1CCCCC1.O=C(NCc1ccccn1)C(CCCCn1cc(-c2cccnc2)c2cccnc21)C1CCCCC1.O=C(NCc1ccccn1)C(CCCCn1cc(Br)c2cccnc21)C1CCCCC1
InChIInChI=1S/C31H36N4O2.C30H35N5O.C25H31BrN4O.C9H14BN.C7H9BO2/c36-26-16-14-24(15-17-26)29-22-35(30-28(29)13-8-19-33-30)20-7-5-12-27(23-9-2-1-3-10-23)31(37)34-21-25-11-4-6-18-32-25;36-30(34-21-25-13-4-6-17-32-25)26(23-10-2-1-3-11-23)14-5-7-19-35-22-28(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)16-7-5-12-21(19-9-2-1-3-10-19)25(31)29-17-20-11-4-6-14-27-20;1-3-10(4-2)9-6-5-7-11-8-9;1-6-2-4-7(5-3-6)8(9)10/h4,6,8,11,13-19,22-23,27,36H,1-3,5,7,9-10,12,20-21H2,(H,34,37);4,6,8-9,12-13,15-18,20,22-23,26H,1-3,5,7,10-11,14,19,21H2,(H,34,36);4,6,8,11,13-15,18-19,21H,1-3,5,7,9-10,12,16-17H2,(H,29,31);5-8H,3-4H2,1-2H3;2-5,9-10H,1H3
InChIKeyQXXHZZPYMPLZCF-UHFFFAOYSA-N
XLogP20.04
TPSA265.90 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds33
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001744.74
LogP ≤ 520.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-cycloheptyl-N-(1-phenylethyl)-6-(3-phenylpyrrolo[2,3-b]pyridin-1-yl)hexanamide
CID 11577058
2-cyclopent-2-en-1-yl-N-[(4-methylsulfonylphenyl)methyl]-6-(3-phenylpyrrolo[2,3-b]pyridin-1-yl)hexanamide
CID 11533976
3-buta-1,3-dien-2-yl-1-ethylpyrrolo[2,3-b]pyridine;N-[2-[[(Z)-but-2-enylidene]amino]ethyl]-2-cyclopentyl-7-[3-(3-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]heptanamide;prop-1-yne
CID 143171883
N-cyclohexyl-4-(1-propylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 53161214
[1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66414895
(7R)-5-(cyclopentanecarbonyl)-2-methyl-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 95806124
(2R)-2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 95113552
1-(cyclopropylmethyl)-N-(pyridin-2-ylmethyl)-4-(2-pyridin-3-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97443245
[4-[(2S)-2-amino-3-oxo-3-(pyridin-2-ylmethylamino)propyl]phenyl]boronic acid
CID 169082285
4-pyridin-2-yl-N-[(4-pyridin-3-ylphenyl)methyl]butanamide
CID 71993129
1-[1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanone
CID 58968059
2-[1-[1-methyl-2-(4-methylphenyl)indol-3-yl]-3-oxo-1H-isoindol-2-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 3980946

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCB(CC)c1cccnc1.Cc1ccc(B(O)O)cc1.O=C(NCc1ccccn1)C(CCCCn1cc(-c2ccc(O)cc2)c2cccnc21)C1CCCCC1.O=C(NCc1ccccn1)C(CCCCn1cc(-c2cccnc2)c2cccnc21)C1CCCCC1.O=C(NCc1ccccn1)C(CCCCn1cc(Br)c2cccnc21)C1CCCCC1.
What is the InChIKey of 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?
The InChIKey is QXXHZZPYMPLZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O2.C30H35N5O.C25H31BrN4O.C9H14BN.C7H9BO2/c36-26-16-14-24(15-17-26)29-22-35(30-28(29)13-8-19-33-30)20-7-5-12-27(23-9-2-1-3-10-23)31(37)34-21-25-11-4-6-18-32-25;36-30(34-21-25-13-4-6-17-32-25)26(23-10-2-1-3-11-23)14-5-7-19-35-22-28(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)16-7-5-12-21(19-9-2-1-3-10-19)25(31)29-17-20-11-4-6-14-27-20;1-3-10(4-2)9-6-5-7-11-8-9;1-6-2-4-7(5-3-6)8(9)10/h4,6,8,11,13-19,22-23,27,36H,1-3,5,7,9-10,12,20-21H2,(H,34,37);4,6,8-9,12-13,15-18,20,22-23,26H,1-3,5,7,10-11,14,19,21H2,(H,34,36);4,6,8,11,13-15,18-19,21H,1-3,5,7,9-10,12,16-17H2,(H,29,31);5-8H,3-4H2,1-2H3;2-5,9-10H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1744.74 g/mol, XLogP of 20.04, 33 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160549802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).