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

C74H102BBrN8O6Si2 — CID 159578360

IUPAC7-(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
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(-c2cn(CCCCCC(C(=O)NCc3ccccn3)C3CCCC3)c3ncccc23)c1.CC(C)(C)[Si](C)(C)Oc1cccc(B(O)O)c1.O=C(NCc1ccccn1)C(CCCCCn1cc(Br)c2cccnc21)C1CCCC1
InChIInChI=1S/C37H50N4O2Si.C25H31BrN4O.C12H21BO3Si/c1-37(2,3)44(4,5)43-31-19-13-17-29(25-31)34-27-41(35-33(34)21-14-23-39-35)24-12-6-7-20-32(28-15-8-9-16-28)36(42)40-26-30-18-10-11-22-38-30;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;1-12(2,3)17(4,5)16-11-8-6-7-10(9-11)13(14)15/h10-11,13-14,17-19,21-23,25,27-28,32H,6-9,12,15-16,20,24,26H2,1-5H3,(H,40,42);5-6,8,11,13-15,18-19,21H,1-4,7,9-10,12,16-17H2,(H,29,31);6-9,14-15H,1-5H3
InChIKeyMIRRHHXEABTYPC-UHFFFAOYSA-N
MW1346.57 g/mol
LogP16.79
Rot. Bonds26

About 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

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 (PubChem CID 159578360) has the molecular formula C74H102BBrN8O6Si2 and a molecular weight of 1346.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(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
PubChem CID159578360
Molecular FormulaC74H102BBrN8O6Si2
Molecular Weight1346.57 g/mol
Exact Mass1344.67
IUPAC Name7-(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
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(-c2cn(CCCCCC(C(=O)NCc3ccccn3)C3CCCC3)c3ncccc23)c1.CC(C)(C)[Si](C)(C)Oc1cccc(B(O)O)c1.O=C(NCc1ccccn1)C(CCCCCn1cc(Br)c2cccnc21)C1CCCC1
InChIInChI=1S/C37H50N4O2Si.C25H31BrN4O.C12H21BO3Si/c1-37(2,3)44(4,5)43-31-19-13-17-29(25-31)34-27-41(35-33(34)21-14-23-39-35)24-12-6-7-20-32(28-15-8-9-16-28)36(42)40-26-30-18-10-11-22-38-30;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;1-12(2,3)17(4,5)16-11-8-6-7-10(9-11)13(14)15/h10-11,13-14,17-19,21-23,25,27-28,32H,6-9,12,15-16,20,24,26H2,1-5H3,(H,40,42);5-6,8,11,13-15,18-19,21H,1-4,7,9-10,12,16-17H2,(H,29,31);6-9,14-15H,1-5H3
InChIKeyMIRRHHXEABTYPC-UHFFFAOYSA-N
XLogP16.79
TPSA178.54 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001346.57
LogP ≤ 516.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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;[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 with MolForge

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Related Compounds

7-[3-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrrolo[2,3-b]pyridin-1-yl]-2-cyclopentyl-N-(pyridin-2-ylmethyl)heptanamide
CID 57572061
7-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrrolo[2,3-b]pyridin-1-yl]-2-cyclopentyl-N-(pyridin-2-ylmethyl)heptanamide
CID 145731576
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
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

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;[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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)[Si](C)(C)Oc1cccc(-c2cn(CCCCCC(C(=O)NCc3ccccn3)C3CCCC3)c3ncccc23)c1.CC(C)(C)[Si](C)(C)Oc1cccc(B(O)O)c1.O=C(NCc1ccccn1)C(CCCCCn1cc(Br)c2cccnc21)C1CCCC1.
What is the InChIKey of 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?
The InChIKey is MIRRHHXEABTYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H50N4O2Si.C25H31BrN4O.C12H21BO3Si/c1-37(2,3)44(4,5)43-31-19-13-17-29(25-31)34-27-41(35-33(34)21-14-23-39-35)24-12-6-7-20-32(28-15-8-9-16-28)36(42)40-26-30-18-10-11-22-38-30;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;1-12(2,3)17(4,5)16-11-8-6-7-10(9-11)13(14)15/h10-11,13-14,17-19,21-23,25,27-28,32H,6-9,12,15-16,20,24,26H2,1-5H3,(H,40,42);5-6,8,11,13-15,18-19,21H,1-4,7,9-10,12,16-17H2,(H,29,31);6-9,14-15H,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 1346.57 g/mol, XLogP of 16.79, 26 rotatable bonds, 4 hydrogen bond donors, and 12 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;[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 is sourced from PubChem (CID 159578360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).