2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide

C26H28ClN7O — CID 46868352

IUPAC2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide
SMILESCN(C)c1ccc(-c2nc3ncc(Cl)c(N4CCN(CC(=O)Nc5ccccc5)CC4)c3[nH]2)cc1
InChIInChI=1S/C26H28ClN7O/c1-32(2)20-10-8-18(9-11-20)25-30-23-24(21(27)16-28-26(23)31-25)34-14-12-33(13-15-34)17-22(35)29-19-6-4-3-5-7-19/h3-11,16H,12-15,17H2,1-2H3,(H,29,35)(H,28,30,31)
InChIKeyATFCZBWLRVVWDU-UHFFFAOYSA-N
MW490.01 g/mol
LogP4.11
Rot. Bonds6

About 2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide

2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 46868352) has the molecular formula C26H28ClN7O and a molecular weight of 490.01 g/mol. Its IUPAC name is 2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide
PubChem CID46868352
Molecular FormulaC26H28ClN7O
Molecular Weight490.01 g/mol
Exact Mass489.20
IUPAC Name2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide
SMILESCN(C)c1ccc(-c2nc3ncc(Cl)c(N4CCN(CC(=O)Nc5ccccc5)CC4)c3[nH]2)cc1
InChIInChI=1S/C26H28ClN7O/c1-32(2)20-10-8-18(9-11-20)25-30-23-24(21(27)16-28-26(23)31-25)34-14-12-33(13-15-34)17-22(35)29-19-6-4-3-5-7-19/h3-11,16H,12-15,17H2,1-2H3,(H,29,35)(H,28,30,31)
InChIKeyATFCZBWLRVVWDU-UHFFFAOYSA-N
XLogP4.11
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.01
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

1-(9-(4-chlorophenyl)-8-(2-chlorophenyl)-9H-purin-6-yl)-4-ethylaminopiperidine-4-carboxylic acid amide
CID 10052040
Diphenyl purine derivative 2
CID 72713199
Otenabant hydrochloride
CID 16223963
Diphenyl purine derivative 5
CID 72713196
4-Amino-N-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 11675388
N-Desethyl otenabant
CID 10480380
6-(4-chlorophenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538792
7-butyl-6-(4-chlorophenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538794
N-(2-Chlorophenyl)-6-(4-piperidinyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 46175113
N~2~-[2-(5-Chloro-1h-Pyrrolo[2,3-B]pyridin-3-Yl)-5-Fluoropyrimidin-4-Yl]-N,N-Dimethyl-L-Alaninamide
CID 57598054
N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]cyclopropanecarboxamide
CID 67387753
4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-2-one
CID 156596354

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide (CID 46868352) is 2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide is CN(C)c1ccc(-c2nc3ncc(Cl)c(N4CCN(CC(=O)Nc5ccccc5)CC4)c3[nH]2)cc1.
What is the InChIKey of 2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is ATFCZBWLRVVWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN7O/c1-32(2)20-10-8-18(9-11-20)25-30-23-24(21(27)16-28-26(23)31-25)34-14-12-33(13-15-34)17-22(35)29-19-6-4-3-5-7-19/h3-11,16H,12-15,17H2,1-2H3,(H,29,35)(H,28,30,31).
What are the key properties of 2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide?
2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 490.01 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-chloro-2-[4-(dimethylamino)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 46868352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).