4-(6-bromo-7-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylaniline

C18H21BrN6 — CID 23585419

IUPAC4-(6-bromo-7-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc3ncc(Br)c(N4CCNCC4)c3[nH]2)cc1
InChIInChI=1S/C18H21BrN6/c1-24(2)13-5-3-12(4-6-13)17-22-15-16(25-9-7-20-8-10-25)14(19)11-21-18(15)23-17/h3-6,11,20H,7-10H2,1-2H3,(H,21,22,23)
InChIKeyJHIAAOWEBWPFOE-UHFFFAOYSA-N
MW401.31 g/mol
LogP2.86
Rot. Bonds3

About 4-(6-bromo-7-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylaniline

4-(6-bromo-7-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylaniline (PubChem CID 23585419) has the molecular formula C18H21BrN6 and a molecular weight of 401.31 g/mol. Its IUPAC name is 4-(6-bromo-7-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(6-bromo-7-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylaniline
PubChem CID23585419
Molecular FormulaC18H21BrN6
Molecular Weight401.31 g/mol
Exact Mass400.10
IUPAC Name4-(6-bromo-7-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc3ncc(Br)c(N4CCNCC4)c3[nH]2)cc1
InChIInChI=1S/C18H21BrN6/c1-24(2)13-5-3-12(4-6-13)17-22-15-16(25-9-7-20-8-10-25)14(19)11-21-18(15)23-17/h3-6,11,20H,7-10H2,1-2H3,(H,21,22,23)
InChIKeyJHIAAOWEBWPFOE-UHFFFAOYSA-N
XLogP2.86
TPSA60.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-7-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(6-bromo-7-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylaniline (CID 23585419) is 4-(6-bromo-7-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(6-bromo-7-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(6-bromo-7-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylaniline is CN(C)c1ccc(-c2nc3ncc(Br)c(N4CCNCC4)c3[nH]2)cc1.
What is the InChIKey of 4-(6-bromo-7-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylaniline?
The InChIKey is JHIAAOWEBWPFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN6/c1-24(2)13-5-3-12(4-6-13)17-22-15-16(25-9-7-20-8-10-25)14(19)11-21-18(15)23-17/h3-6,11,20H,7-10H2,1-2H3,(H,21,22,23).
What are the key properties of 4-(6-bromo-7-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylaniline?
4-(6-bromo-7-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylaniline has a molecular weight of 401.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-7-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 23585419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).