2-[1-[3-(2-amino-5-fluoro-4-methoxyphenyl)phenyl]imidazo[4,5-b]pyridin-5-yl]propan-2-ol

C22H21FN4O2 — CID 177163903

IUPAC2-[1-[3-(2-amino-5-fluoro-4-methoxyphenyl)phenyl]imidazo[4,5-b]pyridin-5-yl]propan-2-ol
SMILESCOc1cc(N)c(-c2cccc(-n3cnc4nc(C(C)(C)O)ccc43)c2)cc1F
InChIInChI=1S/C22H21FN4O2/c1-22(2,28)20-8-7-18-21(26-20)25-12-27(18)14-6-4-5-13(9-14)15-10-16(23)19(29-3)11-17(15)24/h4-12,28H,24H2,1-3H3
InChIKeyYZGJMBXUUVEYBC-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.04
Rot. Bonds4

About 2-[1-[3-(2-amino-5-fluoro-4-methoxyphenyl)phenyl]imidazo[4,5-b]pyridin-5-yl]propan-2-ol

2-[1-[3-(2-amino-5-fluoro-4-methoxyphenyl)phenyl]imidazo[4,5-b]pyridin-5-yl]propan-2-ol (PubChem CID 177163903) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-[1-[3-(2-amino-5-fluoro-4-methoxyphenyl)phenyl]imidazo[4,5-b]pyridin-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[3-(2-amino-5-fluoro-4-methoxyphenyl)phenyl]imidazo[4,5-b]pyridin-5-yl]propan-2-ol
PubChem CID177163903
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name2-[1-[3-(2-amino-5-fluoro-4-methoxyphenyl)phenyl]imidazo[4,5-b]pyridin-5-yl]propan-2-ol
SMILESCOc1cc(N)c(-c2cccc(-n3cnc4nc(C(C)(C)O)ccc43)c2)cc1F
InChIInChI=1S/C22H21FN4O2/c1-22(2,28)20-8-7-18-21(26-20)25-12-27(18)14-6-4-5-13(9-14)15-10-16(23)19(29-3)11-17(15)24/h4-12,28H,24H2,1-3H3
InChIKeyYZGJMBXUUVEYBC-UHFFFAOYSA-N
XLogP4.04
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-amino-5-fluoro-4-methoxyphenyl)phenyl]imidazo[4,5-b]pyridin-5-yl]propan-2-ol?
The IUPAC name of 2-[1-[3-(2-amino-5-fluoro-4-methoxyphenyl)phenyl]imidazo[4,5-b]pyridin-5-yl]propan-2-ol (CID 177163903) is 2-[1-[3-(2-amino-5-fluoro-4-methoxyphenyl)phenyl]imidazo[4,5-b]pyridin-5-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[3-(2-amino-5-fluoro-4-methoxyphenyl)phenyl]imidazo[4,5-b]pyridin-5-yl]propan-2-ol?
The canonical SMILES for 2-[1-[3-(2-amino-5-fluoro-4-methoxyphenyl)phenyl]imidazo[4,5-b]pyridin-5-yl]propan-2-ol is COc1cc(N)c(-c2cccc(-n3cnc4nc(C(C)(C)O)ccc43)c2)cc1F.
What is the InChIKey of 2-[1-[3-(2-amino-5-fluoro-4-methoxyphenyl)phenyl]imidazo[4,5-b]pyridin-5-yl]propan-2-ol?
The InChIKey is YZGJMBXUUVEYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-22(2,28)20-8-7-18-21(26-20)25-12-27(18)14-6-4-5-13(9-14)15-10-16(23)19(29-3)11-17(15)24/h4-12,28H,24H2,1-3H3.
What are the key properties of 2-[1-[3-(2-amino-5-fluoro-4-methoxyphenyl)phenyl]imidazo[4,5-b]pyridin-5-yl]propan-2-ol?
2-[1-[3-(2-amino-5-fluoro-4-methoxyphenyl)phenyl]imidazo[4,5-b]pyridin-5-yl]propan-2-ol has a molecular weight of 392.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-amino-5-fluoro-4-methoxyphenyl)phenyl]imidazo[4,5-b]pyridin-5-yl]propan-2-ol is sourced from PubChem (CID 177163903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).