6-bromo-2-(2-chloroethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine

C14H15BrClN5 — CID 103008938

IUPAC6-bromo-2-(2-chloroethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine
SMILESCn1nccc1CCn1c(CCCl)nc2cc(Br)cnc21
InChIInChI=1S/C14H15BrClN5/c1-20-11(3-6-18-20)4-7-21-13(2-5-16)19-12-8-10(15)9-17-14(12)21/h3,6,8-9H,2,4-5,7H2,1H3
InChIKeyFLNZVUNBVHVCAR-UHFFFAOYSA-N
MW368.67 g/mol
LogP2.95
Rot. Bonds5

About 6-bromo-2-(2-chloroethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine

6-bromo-2-(2-chloroethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine (PubChem CID 103008938) has the molecular formula C14H15BrClN5 and a molecular weight of 368.67 g/mol. Its IUPAC name is 6-bromo-2-(2-chloroethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(2-chloroethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine
PubChem CID103008938
Molecular FormulaC14H15BrClN5
Molecular Weight368.67 g/mol
Exact Mass367.02
IUPAC Name6-bromo-2-(2-chloroethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine
SMILESCn1nccc1CCn1c(CCCl)nc2cc(Br)cnc21
InChIInChI=1S/C14H15BrClN5/c1-20-11(3-6-18-20)4-7-21-13(2-5-16)19-12-8-10(15)9-17-14(12)21/h3,6,8-9H,2,4-5,7H2,1H3
InChIKeyFLNZVUNBVHVCAR-UHFFFAOYSA-N
XLogP2.95
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.67
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-(2-chloroethyl)-3-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79302336
3-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine
CID 79280592
6-bromo-2-(2-chloroethyl)-3-(3-ethoxypropyl)imidazo[4,5-b]pyridine
CID 79302095
6-bromo-2-(2-chloroethyl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 79302094
2-(2-chloroethyl)-5-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazole
CID 103008671
N-[2-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine
CID 79302404
6-bromo-2-(2-chloroethyl)-3-(2-imidazol-1-ylethyl)imidazo[4,5-b]pyridine
CID 79301903
4-[2-[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-1,3-thiazole
CID 79302623
2-(chloromethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine
CID 103008727
6-bromo-2-(2-chloroethyl)-3-(3-methyl-2-propan-2-ylbutyl)imidazo[4,5-b]pyridine
CID 102906922
6-bromo-2-(2-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine
CID 79302391
6-bromo-2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]benzimidazole
CID 65346156

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloroethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(2-chloroethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine (CID 103008938) is 6-bromo-2-(2-chloroethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(2-chloroethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(2-chloroethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine is Cn1nccc1CCn1c(CCCl)nc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-2-(2-chloroethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine?
The InChIKey is FLNZVUNBVHVCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN5/c1-20-11(3-6-18-20)4-7-21-13(2-5-16)19-12-8-10(15)9-17-14(12)21/h3,6,8-9H,2,4-5,7H2,1H3.
What are the key properties of 6-bromo-2-(2-chloroethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine?
6-bromo-2-(2-chloroethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine has a molecular weight of 368.67 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(2-chloroethyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 103008938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).