5-bromopentanoyl chloride;3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-one;1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(4-chlorophenyl)methyl]-2-oxo-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-amine

C86H94Br3Cl3N14O7 — CID 158385444

IUPAC5-bromopentanoyl chloride;3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-one;1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(4-chlorophenyl)methyl]-2-oxo-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-amine
SMILESBrCCCCCc1c[nH]c2ncccc12.NCCCCCc1c[nH]c2ncccc12.O=C(CCCCBr)c1c[nH]c2ncccc12.O=C(Cl)CCCCBr.O=C(NCCCCCc1c[nH]c2ncccc12)c1cccn(Cc2ccc(Cl)cc2)c1=O.O=C(O)c1cccn(Cc2ccc(Cl)cc2)c1=O.c1cnc2[nH]ccc2c1
InChIInChI=1S/C25H25ClN4O2.C13H10ClNO3.C12H13BrN2O.C12H15BrN2.C12H17N3.C7H6N2.C5H8BrClO/c26-20-11-9-18(10-12-20)17-30-15-5-8-22(25(30)32)24(31)28-13-3-1-2-6-19-16-29-23-21(19)7-4-14-27-23;14-10-5-3-9(4-6-10)8-15-7-1-2-11(12(15)16)13(17)18;13-6-2-1-5-11(16)10-8-15-12-9(10)4-3-7-14-12;2*13-7-3-1-2-5-10-9-15-12-11(10)6-4-8-14-12;1-2-6-3-5-9-7(6)8-4-1;6-4-2-1-3-5(7)8/h4-5,7-12,14-16H,1-3,6,13,17H2,(H,27,29)(H,28,31);1-7H,8H2,(H,17,18);3-4,7-8H,1-2,5-6H2,(H,14,15);4,6,8-9H,1-3,5,7H2,(H,14,15);4,6,8-9H,1-3,5,7,13H2,(H,14,15);1-5H,(H,8,9);1-4H2
InChIKeyGWHSMFJPEDVJRC-UHFFFAOYSA-N
MW1781.86 g/mol
LogP19.91
Rot. Bonds31

About 5-bromopentanoyl chloride;3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-one;1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(4-chlorophenyl)methyl]-2-oxo-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-amine

5-bromopentanoyl chloride;3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-one;1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(4-chlorophenyl)methyl]-2-oxo-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-amine (PubChem CID 158385444) has the molecular formula C86H94Br3Cl3N14O7 and a molecular weight of 1781.86 g/mol. Its IUPAC name is 5-bromopentanoyl chloride;3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-one;1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(4-chlorophenyl)methyl]-2-oxo-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-amine.

Molecular Properties

Compound Name5-bromopentanoyl chloride;3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-one;1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(4-chlorophenyl)methyl]-2-oxo-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-amine
PubChem CID158385444
Molecular FormulaC86H94Br3Cl3N14O7
Molecular Weight1781.86 g/mol
Exact Mass1776.40
IUPAC Name5-bromopentanoyl chloride;3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-one;1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(4-chlorophenyl)methyl]-2-oxo-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-amine
SMILESBrCCCCCc1c[nH]c2ncccc12.NCCCCCc1c[nH]c2ncccc12.O=C(CCCCBr)c1c[nH]c2ncccc12.O=C(Cl)CCCCBr.O=C(NCCCCCc1c[nH]c2ncccc12)c1cccn(Cc2ccc(Cl)cc2)c1=O.O=C(O)c1cccn(Cc2ccc(Cl)cc2)c1=O.c1cnc2[nH]ccc2c1
InChIInChI=1S/C25H25ClN4O2.C13H10ClNO3.C12H13BrN2O.C12H15BrN2.C12H17N3.C7H6N2.C5H8BrClO/c26-20-11-9-18(10-12-20)17-30-15-5-8-22(25(30)32)24(31)28-13-3-1-2-6-19-16-29-23-21(19)7-4-14-27-23;14-10-5-3-9(4-6-10)8-15-7-1-2-11(12(15)16)13(17)18;13-6-2-1-5-11(16)10-8-15-12-9(10)4-3-7-14-12;2*13-7-3-1-2-5-10-9-15-12-11(10)6-4-8-14-12;1-2-6-3-5-9-7(6)8-4-1;6-4-2-1-3-5(7)8/h4-5,7-12,14-16H,1-3,6,13,17H2,(H,27,29)(H,28,31);1-7H,8H2,(H,17,18);3-4,7-8H,1-2,5-6H2,(H,14,15);4,6,8-9H,1-3,5,7H2,(H,14,15);4,6,8-9H,1-3,5,7,13H2,(H,14,15);1-5H,(H,8,9);1-4H2
InChIKeyGWHSMFJPEDVJRC-UHFFFAOYSA-N
XLogP19.91
TPSA313.96 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds31
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001781.86
LogP ≤ 519.91
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 5-bromopentanoyl chloride;3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-one;1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(4-chlorophenyl)methyl]-2-oxo-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-amine with MolForge

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Related Compounds

[2-chloro-6-[(4-chlorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(4-chlorophenyl)methanamine;2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid;(2,6-dichloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine
CID 159135460
5-bromo-1-(7H-cyclopenta[b]pyridin-5-yl)pentan-1-one;5-bromopentanoyl chloride;5-(5-bromopentyl)-7H-cyclopenta[b]pyridine;1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(4-chlorophenyl)methyl]-3-[7-(1H-pyrrolo[2,3-b]pyridin-3-yl)heptanoyl]pyridin-2-one;7H-cyclopenta[b]pyridine;5-(7H-cyclopenta[b]pyridin-5-yl)pentan-1-amine
CID 160914782
3-bromopropanoyl chloride;3-(3-bromopropyl)-1H-pyrrolo[2,3-b]pyridine;3-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one;1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-amine
CID 161134279
sodium;ethane;N-methylpyrrolo[2,3-b]pyridin-1-ide-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;pyrrolo[2,3-b]pyridin-1-ide;pyrrolo[2,3-b]pyridin-1-ide-3-carboxylic acid;2,2,2-trichloro-1-pyrrolo[2,3-b]pyridin-1-id-3-ylethanone;tetrakis(yttrium);hydroxide
CID 161362773
[2-chloro-6-[2-(4-chlorophenyl)ethyl]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;(4-chlorophenyl)methanamine;2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid;(2,6-dichloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridine
CID 161595485

Frequently Asked Questions

What is the IUPAC name of 5-bromopentanoyl chloride;3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-one;1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(4-chlorophenyl)methyl]-2-oxo-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-amine?
The IUPAC name of 5-bromopentanoyl chloride;3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-one;1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(4-chlorophenyl)methyl]-2-oxo-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-amine (CID 158385444) is 5-bromopentanoyl chloride;3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-one;1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(4-chlorophenyl)methyl]-2-oxo-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-amine.
What is the SMILES notation for 5-bromopentanoyl chloride;3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-one;1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(4-chlorophenyl)methyl]-2-oxo-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-amine?
The canonical SMILES for 5-bromopentanoyl chloride;3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-one;1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(4-chlorophenyl)methyl]-2-oxo-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-amine is BrCCCCCc1c[nH]c2ncccc12.NCCCCCc1c[nH]c2ncccc12.O=C(CCCCBr)c1c[nH]c2ncccc12.O=C(Cl)CCCCBr.O=C(NCCCCCc1c[nH]c2ncccc12)c1cccn(Cc2ccc(Cl)cc2)c1=O.O=C(O)c1cccn(Cc2ccc(Cl)cc2)c1=O.c1cnc2[nH]ccc2c1.
What is the InChIKey of 5-bromopentanoyl chloride;3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-one;1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(4-chlorophenyl)methyl]-2-oxo-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-amine?
The InChIKey is GWHSMFJPEDVJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2.C13H10ClNO3.C12H13BrN2O.C12H15BrN2.C12H17N3.C7H6N2.C5H8BrClO/c26-20-11-9-18(10-12-20)17-30-15-5-8-22(25(30)32)24(31)28-13-3-1-2-6-19-16-29-23-21(19)7-4-14-27-23;14-10-5-3-9(4-6-10)8-15-7-1-2-11(12(15)16)13(17)18;13-6-2-1-5-11(16)10-8-15-12-9(10)4-3-7-14-12;2*13-7-3-1-2-5-10-9-15-12-11(10)6-4-8-14-12;1-2-6-3-5-9-7(6)8-4-1;6-4-2-1-3-5(7)8/h4-5,7-12,14-16H,1-3,6,13,17H2,(H,27,29)(H,28,31);1-7H,8H2,(H,17,18);3-4,7-8H,1-2,5-6H2,(H,14,15);4,6,8-9H,1-3,5,7H2,(H,14,15);4,6,8-9H,1-3,5,7,13H2,(H,14,15);1-5H,(H,8,9);1-4H2.
What are the key properties of 5-bromopentanoyl chloride;3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-one;1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(4-chlorophenyl)methyl]-2-oxo-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-amine?
5-bromopentanoyl chloride;3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-one;1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(4-chlorophenyl)methyl]-2-oxo-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-amine has a molecular weight of 1781.86 g/mol, XLogP of 19.91, 31 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopentanoyl chloride;3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine;5-bromo-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-one;1-[(4-chlorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(4-chlorophenyl)methyl]-2-oxo-N-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentyl]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine;5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-1-amine is sourced from PubChem (CID 158385444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).