4-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylphenol

C13H12N4O — CID 136750914

IUPAC4-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylphenol
SMILESCc1cc(O)ccc1-c1nc2nc(N)ccc2[nH]1
InChIInChI=1S/C13H12N4O/c1-7-6-8(18)2-3-9(7)12-15-10-4-5-11(14)16-13(10)17-12/h2-6,18H,1H3,(H3,14,15,16,17)
InChIKeyHSECXGRLALSUJO-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.22
Rot. Bonds1

About 4-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylphenol

4-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylphenol (PubChem CID 136750914) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylphenol.

Molecular Properties

Compound Name4-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylphenol
PubChem CID136750914
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name4-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylphenol
SMILESCc1cc(O)ccc1-c1nc2nc(N)ccc2[nH]1
InChIInChI=1S/C13H12N4O/c1-7-6-8(18)2-3-9(7)12-15-10-4-5-11(14)16-13(10)17-12/h2-6,18H,1H3,(H3,14,15,16,17)
InChIKeyHSECXGRLALSUJO-UHFFFAOYSA-N
XLogP2.22
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylphenol
CID 136750901
5-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol
CID 107704580
2-(3,4-dimethylphenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821930
2-(2-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820730
2-(2-amino-4-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820778
2-(2-amino-5-iodophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821967
2-(5-amino-3-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821019
2-(5-bromo-2-chlorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820972
2-(2-amino-3,5-dichlorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79820784
4-chloro-3-[5-(dimethylamino)-1H-imidazo[4,5-b]pyridin-2-yl]phenol
CID 106502361
2-(3,5-difluorophenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821482
2-(3-chloro-4-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 103402863

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylphenol?
The IUPAC name of 4-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylphenol (CID 136750914) is 4-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylphenol.
What is the SMILES notation for 4-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylphenol?
The canonical SMILES for 4-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylphenol is Cc1cc(O)ccc1-c1nc2nc(N)ccc2[nH]1.
What is the InChIKey of 4-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylphenol?
The InChIKey is HSECXGRLALSUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-7-6-8(18)2-3-9(7)12-15-10-4-5-11(14)16-13(10)17-12/h2-6,18H,1H3,(H3,14,15,16,17).
What are the key properties of 4-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylphenol?
4-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylphenol has a molecular weight of 240.27 g/mol, XLogP of 2.22, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1H-imidazo[4,5-b]pyridin-2-yl)-3-methylphenol is sourced from PubChem (CID 136750914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).