1-amino-3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-2-ol

C10H13BrN4O — CID 66002551

IUPAC1-amino-3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-2-ol
SMILESCC(O)(CN)Cc1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C10H13BrN4O/c1-10(16,5-12)3-8-14-7-2-6(11)4-13-9(7)15-8/h2,4,16H,3,5,12H2,1H3,(H,13,14,15)
InChIKeyNKEHOQXRSCKWJF-UHFFFAOYSA-N
MW285.14 g/mol
LogP0.97
Rot. Bonds3

About 1-amino-3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-2-ol

1-amino-3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-2-ol (PubChem CID 66002551) has the molecular formula C10H13BrN4O and a molecular weight of 285.14 g/mol. Its IUPAC name is 1-amino-3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-2-ol
PubChem CID66002551
Molecular FormulaC10H13BrN4O
Molecular Weight285.14 g/mol
Exact Mass284.03
IUPAC Name1-amino-3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-2-ol
SMILESCC(O)(CN)Cc1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C10H13BrN4O/c1-10(16,5-12)3-8-14-7-2-6(11)4-13-9(7)15-8/h2,4,16H,3,5,12H2,1H3,(H,13,14,15)
InChIKeyNKEHOQXRSCKWJF-UHFFFAOYSA-N
XLogP0.97
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-2-ol (CID 66002551) is 1-amino-3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-2-ol is CC(O)(CN)Cc1nc2ncc(Br)cc2[nH]1.
What is the InChIKey of 1-amino-3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-2-ol?
The InChIKey is NKEHOQXRSCKWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O/c1-10(16,5-12)3-8-14-7-2-6(11)4-13-9(7)15-8/h2,4,16H,3,5,12H2,1H3,(H,13,14,15).
What are the key properties of 1-amino-3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-2-ol?
1-amino-3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-2-ol has a molecular weight of 285.14 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 66002551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).