6-bromo-3-[3-(dimethylamino)propyl]imidazo[4,5-b]pyridin-2-amine

C11H16BrN5 — CID 79305894

IUPAC6-bromo-3-[3-(dimethylamino)propyl]imidazo[4,5-b]pyridin-2-amine
SMILESCN(C)CCCn1c(N)nc2cc(Br)cnc21
InChIInChI=1S/C11H16BrN5/c1-16(2)4-3-5-17-10-9(15-11(17)13)6-8(12)7-14-10/h6-7H,3-5H2,1-2H3,(H2,13,15)
InChIKeyCIUWHKWUQNNGAC-UHFFFAOYSA-N
MW298.19 g/mol
LogP1.73
Rot. Bonds4

About 6-bromo-3-[3-(dimethylamino)propyl]imidazo[4,5-b]pyridin-2-amine

6-bromo-3-[3-(dimethylamino)propyl]imidazo[4,5-b]pyridin-2-amine (PubChem CID 79305894) has the molecular formula C11H16BrN5 and a molecular weight of 298.19 g/mol. Its IUPAC name is 6-bromo-3-[3-(dimethylamino)propyl]imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-[3-(dimethylamino)propyl]imidazo[4,5-b]pyridin-2-amine
PubChem CID79305894
Molecular FormulaC11H16BrN5
Molecular Weight298.19 g/mol
Exact Mass297.06
IUPAC Name6-bromo-3-[3-(dimethylamino)propyl]imidazo[4,5-b]pyridin-2-amine
SMILESCN(C)CCCn1c(N)nc2cc(Br)cnc21
InChIInChI=1S/C11H16BrN5/c1-16(2)4-3-5-17-10-9(15-11(17)13)6-8(12)7-14-10/h6-7H,3-5H2,1-2H3,(H2,13,15)
InChIKeyCIUWHKWUQNNGAC-UHFFFAOYSA-N
XLogP1.73
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[3-(dimethylamino)propyl]imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-bromo-3-[3-(dimethylamino)propyl]imidazo[4,5-b]pyridin-2-amine (CID 79305894) is 6-bromo-3-[3-(dimethylamino)propyl]imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-bromo-3-[3-(dimethylamino)propyl]imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-bromo-3-[3-(dimethylamino)propyl]imidazo[4,5-b]pyridin-2-amine is CN(C)CCCn1c(N)nc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-3-[3-(dimethylamino)propyl]imidazo[4,5-b]pyridin-2-amine?
The InChIKey is CIUWHKWUQNNGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN5/c1-16(2)4-3-5-17-10-9(15-11(17)13)6-8(12)7-14-10/h6-7H,3-5H2,1-2H3,(H2,13,15).
What are the key properties of 6-bromo-3-[3-(dimethylamino)propyl]imidazo[4,5-b]pyridin-2-amine?
6-bromo-3-[3-(dimethylamino)propyl]imidazo[4,5-b]pyridin-2-amine has a molecular weight of 298.19 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[3-(dimethylamino)propyl]imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79305894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).