6-bromo-3-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine

C15H20BrN3 — CID 68614796

IUPAC6-bromo-3-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine
SMILESCC(C)(C)Cc1nc2cc(Br)cnc2n1CC1CC1
InChIInChI=1S/C15H20BrN3/c1-15(2,3)7-13-18-12-6-11(16)8-17-14(12)19(13)9-10-4-5-10/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyXXBKEZGTFNAEKV-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.19
Rot. Bonds3

About 6-bromo-3-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine

6-bromo-3-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine (PubChem CID 68614796) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 6-bromo-3-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-3-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine
PubChem CID68614796
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name6-bromo-3-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine
SMILESCC(C)(C)Cc1nc2cc(Br)cnc2n1CC1CC1
InChIInChI=1S/C15H20BrN3/c1-15(2,3)7-13-18-12-6-11(16)8-17-14(12)19(13)9-10-4-5-10/h6,8,10H,4-5,7,9H2,1-3H3
InChIKeyXXBKEZGTFNAEKV-UHFFFAOYSA-N
XLogP4.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-ethyl-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 82151054
2-(chloromethyl)-3-(cyclopropylmethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301845
6-bromo-2-(2-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine
CID 79302391
6-bromo-2-(2-chloroethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 80585975
6-bromo-2-(2-chloroethyl)-3-(thian-2-ylmethyl)imidazo[4,5-b]pyridine
CID 80612195
6-bromo-2-(chloromethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 80585928
5-bromo-1,2-bis(2,2-dimethylpropyl)benzimidazole
CID 90864285
6-bromo-2-(chloromethyl)-3-(2-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine
CID 104763494
2-(2-chloroethyl)-3-(cyclobutylmethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301428
6-bromo-2-(2-chloroethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79278792
6-bromo-2-(2-chloroethyl)-3-(3-methylcyclopentyl)imidazo[4,5-b]pyridine
CID 114548562
(6-bromo-3-methylimidazo[4,5-b]pyridin-2-yl)methanamine
CID 83899074

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-3-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine (CID 68614796) is 6-bromo-3-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-3-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-3-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine is CC(C)(C)Cc1nc2cc(Br)cnc2n1CC1CC1.
What is the InChIKey of 6-bromo-3-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine?
The InChIKey is XXBKEZGTFNAEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-15(2,3)7-13-18-12-6-11(16)8-17-14(12)19(13)9-10-4-5-10/h6,8,10H,4-5,7,9H2,1-3H3.
What are the key properties of 6-bromo-3-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine?
6-bromo-3-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine has a molecular weight of 322.25 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 68614796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).