6-bromo-3-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine

C11H11BrN6 — CID 79306721

IUPAC6-bromo-3-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine
SMILESCn1ccnc1Cn1c(N)nc2cc(Br)cnc21
InChIInChI=1S/C11H11BrN6/c1-17-3-2-14-9(17)6-18-10-8(16-11(18)13)4-7(12)5-15-10/h2-5H,6H2,1H3,(H2,13,16)
InChIKeyLPWFWAGUJYPENN-UHFFFAOYSA-N
MW307.16 g/mol
LogP1.56
Rot. Bonds2

About 6-bromo-3-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine

6-bromo-3-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine (PubChem CID 79306721) has the molecular formula C11H11BrN6 and a molecular weight of 307.16 g/mol. Its IUPAC name is 6-bromo-3-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine
PubChem CID79306721
Molecular FormulaC11H11BrN6
Molecular Weight307.16 g/mol
Exact Mass306.02
IUPAC Name6-bromo-3-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine
SMILESCn1ccnc1Cn1c(N)nc2cc(Br)cnc21
InChIInChI=1S/C11H11BrN6/c1-17-3-2-14-9(17)6-18-10-8(16-11(18)13)4-7(12)5-15-10/h2-5H,6H2,1H3,(H2,13,16)
InChIKeyLPWFWAGUJYPENN-UHFFFAOYSA-N
XLogP1.56
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-3-[(1-methylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79306206
6-bromo-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79306561
6-bromo-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine
CID 79306856
6-bromo-3-(1,2-oxazol-5-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 106419846
6-bromo-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79306867
6-bromo-3-[3-(dimethylamino)propyl]imidazo[4,5-b]pyridin-2-amine
CID 79305894
5-fluoro-6-methyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
CID 103592946
6-bromo-3-(4-methylsulfanylbutyl)imidazo[4,5-b]pyridin-2-amine
CID 113487873
5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine
CID 63293701
6-bromo-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 106419770
7-chloro-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
CID 63295616
6-bromo-3-(3-phenoxypropyl)imidazo[4,5-b]pyridin-2-amine
CID 79279143

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-bromo-3-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine (CID 79306721) is 6-bromo-3-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-bromo-3-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-bromo-3-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine is Cn1ccnc1Cn1c(N)nc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-3-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
The InChIKey is LPWFWAGUJYPENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN6/c1-17-3-2-14-9(17)6-18-10-8(16-11(18)13)4-7(12)5-15-10/h2-5H,6H2,1H3,(H2,13,16).
What are the key properties of 6-bromo-3-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine?
6-bromo-3-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine has a molecular weight of 307.16 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79306721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).