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

C91H99Br3Cl3N9O7 — CID 160914782

IUPAC5-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
SMILESBrCCCCCC1=CCc2ncccc21.C1=Cc2cccnc2C1.NCCCCCC1=CCc2ncccc21.O=C(CCCCBr)C1=CCc2ncccc21.O=C(CCCCCCc1c[nH]c2ncccc12)c1cccn(Cc2ccc(Cl)cc2)c1=O.O=C(Cl)CCCCBr.O=C(O)c1cccn(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C26H26ClN3O2.C13H14BrNO.C13H16BrN.C13H10ClNO3.C13H18N2.C8H7N.C5H8BrClO/c27-21-13-11-19(12-14-21)18-30-16-6-9-23(26(30)32)24(31)10-4-2-1-3-7-20-17-29-25-22(20)8-5-15-28-25;14-8-2-1-5-13(16)11-6-7-12-10(11)4-3-9-15-12;14-9-3-1-2-5-11-7-8-13-12(11)6-4-10-15-13;14-10-5-3-9(4-6-10)8-15-7-1-2-11(12(15)16)13(17)18;14-9-3-1-2-5-11-7-8-13-12(11)6-4-10-15-13;1-3-7-4-2-6-9-8(7)5-1;6-4-2-1-3-5(7)8/h5-6,8-9,11-17H,1-4,7,10,18H2,(H,28,29);3-4,6,9H,1-2,5,7-8H2;4,6-7,10H,1-3,5,8-9H2;1-7H,8H2,(H,17,18);4,6-7,10H,1-3,5,8-9,14H2;1-4,6H,5H2;1-4H2
InChIKeySRGJBNOJXKYHAQ-UHFFFAOYSA-N
MW1776.92 g/mol
LogP21.69
Rot. Bonds32

About 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

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 (PubChem CID 160914782) has the molecular formula C91H99Br3Cl3N9O7 and a molecular weight of 1776.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID160914782
Molecular FormulaC91H99Br3Cl3N9O7
Molecular Weight1776.92 g/mol
Exact Mass1771.43
IUPAC Name5-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
SMILESBrCCCCCC1=CCc2ncccc21.C1=Cc2cccnc2C1.NCCCCCC1=CCc2ncccc21.O=C(CCCCBr)C1=CCc2ncccc21.O=C(CCCCCCc1c[nH]c2ncccc12)c1cccn(Cc2ccc(Cl)cc2)c1=O.O=C(Cl)CCCCBr.O=C(O)c1cccn(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C26H26ClN3O2.C13H14BrNO.C13H16BrN.C13H10ClNO3.C13H18N2.C8H7N.C5H8BrClO/c27-21-13-11-19(12-14-21)18-30-16-6-9-23(26(30)32)24(31)10-4-2-1-3-7-20-17-29-25-22(20)8-5-15-28-25;14-8-2-1-5-13(16)11-6-7-12-10(11)4-3-9-15-12;14-9-3-1-2-5-11-7-8-13-12(11)6-4-10-15-13;14-10-5-3-9(4-6-10)8-15-7-1-2-11(12(15)16)13(17)18;14-9-3-1-2-5-11-7-8-13-12(11)6-4-10-15-13;1-3-7-4-2-6-9-8(7)5-1;6-4-2-1-3-5(7)8/h5-6,8-9,11-17H,1-4,7,10,18H2,(H,28,29);3-4,6,9H,1-2,5,7-8H2;4,6-7,10H,1-3,5,8-9H2;1-7H,8H2,(H,17,18);4,6-7,10H,1-3,5,8-9,14H2;1-4,6H,5H2;1-4H2
InChIKeySRGJBNOJXKYHAQ-UHFFFAOYSA-N
XLogP21.69
TPSA238.77 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds32
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001776.92
LogP ≤ 521.69
H-Bond Donors ≤ 53
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-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 with MolForge

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Related Compounds

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
[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;methane;1H-pyrrolo[2,3-b]pyridine
CID 160618251
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
[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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is BrCCCCCC1=CCc2ncccc21.C1=Cc2cccnc2C1.NCCCCCC1=CCc2ncccc21.O=C(CCCCBr)C1=CCc2ncccc21.O=C(CCCCCCc1c[nH]c2ncccc12)c1cccn(Cc2ccc(Cl)cc2)c1=O.O=C(Cl)CCCCBr.O=C(O)c1cccn(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 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?
The InChIKey is SRGJBNOJXKYHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O2.C13H14BrNO.C13H16BrN.C13H10ClNO3.C13H18N2.C8H7N.C5H8BrClO/c27-21-13-11-19(12-14-21)18-30-16-6-9-23(26(30)32)24(31)10-4-2-1-3-7-20-17-29-25-22(20)8-5-15-28-25;14-8-2-1-5-13(16)11-6-7-12-10(11)4-3-9-15-12;14-9-3-1-2-5-11-7-8-13-12(11)6-4-10-15-13;14-10-5-3-9(4-6-10)8-15-7-1-2-11(12(15)16)13(17)18;14-9-3-1-2-5-11-7-8-13-12(11)6-4-10-15-13;1-3-7-4-2-6-9-8(7)5-1;6-4-2-1-3-5(7)8/h5-6,8-9,11-17H,1-4,7,10,18H2,(H,28,29);3-4,6,9H,1-2,5,7-8H2;4,6-7,10H,1-3,5,8-9H2;1-7H,8H2,(H,17,18);4,6-7,10H,1-3,5,8-9,14H2;1-4,6H,5H2;1-4H2.
What are the key properties of 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?
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 has a molecular weight of 1776.92 g/mol, XLogP of 21.69, 32 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160914782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).