3-[6-bromo-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C21H20BrN5 — CID 58345162

IUPAC3-[6-bromo-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESCC(C)(C)c1ccc(-n2c(-c3cccnc3N)nc3cc(Br)cnc32)cc1
InChIInChI=1S/C21H20BrN5/c1-21(2,3)13-6-8-15(9-7-13)27-19(16-5-4-10-24-18(16)23)26-17-11-14(22)12-25-20(17)27/h4-12H,1-3H3,(H2,23,24)
InChIKeyGDRYZRYNVBNEFY-UHFFFAOYSA-N
MW422.33 g/mol
LogP5.12
Rot. Bonds2

About 3-[6-bromo-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[6-bromo-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 58345162) has the molecular formula C21H20BrN5 and a molecular weight of 422.33 g/mol. Its IUPAC name is 3-[6-bromo-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[6-bromo-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID58345162
Molecular FormulaC21H20BrN5
Molecular Weight422.33 g/mol
Exact Mass421.09
IUPAC Name3-[6-bromo-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESCC(C)(C)c1ccc(-n2c(-c3cccnc3N)nc3cc(Br)cnc32)cc1
InChIInChI=1S/C21H20BrN5/c1-21(2,3)13-6-8-15(9-7-13)27-19(16-5-4-10-24-18(16)23)26-17-11-14(22)12-25-20(17)27/h4-12H,1-3H3,(H2,23,24)
InChIKeyGDRYZRYNVBNEFY-UHFFFAOYSA-N
XLogP5.12
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.33
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-bromo-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 3-[6-bromo-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 58345162) is 3-[6-bromo-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[6-bromo-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[6-bromo-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is CC(C)(C)c1ccc(-n2c(-c3cccnc3N)nc3cc(Br)cnc32)cc1.
What is the InChIKey of 3-[6-bromo-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is GDRYZRYNVBNEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN5/c1-21(2,3)13-6-8-15(9-7-13)27-19(16-5-4-10-24-18(16)23)26-17-11-14(22)12-25-20(17)27/h4-12H,1-3H3,(H2,23,24).
What are the key properties of 3-[6-bromo-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
3-[6-bromo-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 422.33 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-bromo-3-(4-tert-butylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 58345162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).