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

C13H17BrN4 — CID 114101095

IUPAC6-bromo-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridin-2-amine
SMILESCCCC1(Cn2c(N)nc3cc(Br)cnc32)CC1
InChIInChI=1S/C13H17BrN4/c1-2-3-13(4-5-13)8-18-11-10(17-12(18)15)6-9(14)7-16-11/h6-7H,2-5,8H2,1H3,(H2,15,17)
InChIKeyKAKNUEKUUABXON-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.36
Rot. Bonds4

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

6-bromo-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridin-2-amine (PubChem CID 114101095) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 6-bromo-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridin-2-amine
PubChem CID114101095
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name6-bromo-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridin-2-amine
SMILESCCCC1(Cn2c(N)nc3cc(Br)cnc32)CC1
InChIInChI=1S/C13H17BrN4/c1-2-3-13(4-5-13)8-18-11-10(17-12(18)15)6-9(14)7-16-11/h6-7H,2-5,8H2,1H3,(H2,15,17)
InChIKeyKAKNUEKUUABXON-UHFFFAOYSA-N
XLogP3.36
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 114101096
6-bromo-2-(chloromethyl)-3-[(1-ethylcyclopropyl)methyl]imidazo[4,5-b]pyridine
CID 114101198
6-bromo-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine
CID 79306856
6-bromo-3-[(1-methylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79306206
6-bromo-3-[3-(dimethylamino)propyl]imidazo[4,5-b]pyridin-2-amine
CID 79305894
6-bromo-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79306561
6-bromo-3-(4-methylsulfanylbutyl)imidazo[4,5-b]pyridin-2-amine
CID 113487873
6-bromo-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79305908
6-bromo-3-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79306721
6-bromo-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79306867
6-bromo-3-(4,4-dimethylcyclohexyl)imidazo[4,5-b]pyridin-2-amine
CID 79302440
6-bromo-3-octan-4-ylimidazo[4,5-b]pyridin-2-amine
CID 106019882

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-bromo-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridin-2-amine (CID 114101095) is 6-bromo-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-bromo-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-bromo-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridin-2-amine is CCCC1(Cn2c(N)nc3cc(Br)cnc32)CC1.
What is the InChIKey of 6-bromo-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridin-2-amine?
The InChIKey is KAKNUEKUUABXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-2-3-13(4-5-13)8-18-11-10(17-12(18)15)6-9(14)7-16-11/h6-7H,2-5,8H2,1H3,(H2,15,17).
What are the key properties of 6-bromo-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridin-2-amine?
6-bromo-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridin-2-amine has a molecular weight of 309.21 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 114101095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).