N'-(4-fluoro-3-phenylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide

C19H14FN5O — CID 137097629

IUPACN'-(4-fluoro-3-phenylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
SMILESON/C(=N\c1ccc(F)c(-c2ccccc2)c1)c1ccnc2nc[nH]c12
InChIInChI=1S/C19H14FN5O/c20-16-7-6-13(10-15(16)12-4-2-1-3-5-12)24-18(25-26)14-8-9-21-19-17(14)22-11-23-19/h1-11,26H,(H,24,25)(H,21,22,23)
InChIKeyHFAANUDYLRHYSW-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.82
Rot. Bonds3

About N'-(4-fluoro-3-phenylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide

N'-(4-fluoro-3-phenylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide (PubChem CID 137097629) has the molecular formula C19H14FN5O and a molecular weight of 347.35 g/mol. Its IUPAC name is N'-(4-fluoro-3-phenylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide.

Molecular Properties

Compound NameN'-(4-fluoro-3-phenylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
PubChem CID137097629
Molecular FormulaC19H14FN5O
Molecular Weight347.35 g/mol
Exact Mass347.12
IUPAC NameN'-(4-fluoro-3-phenylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
SMILESON/C(=N\c1ccc(F)c(-c2ccccc2)c1)c1ccnc2nc[nH]c12
InChIInChI=1S/C19H14FN5O/c20-16-7-6-13(10-15(16)12-4-2-1-3-5-12)24-18(25-26)14-8-9-21-19-17(14)22-11-23-19/h1-11,26H,(H,24,25)(H,21,22,23)
InChIKeyHFAANUDYLRHYSW-UHFFFAOYSA-N
XLogP3.82
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-fluoro-3-prop-1-ynylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097724
N'-[3-(2-cyclopropylethynyl)-4-fluorophenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097693
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-(2-hydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097673
2-(aminomethyl)-N'-(3-chloro-4-fluorophenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097616
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[(3-hydroxypropylamino)methyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097823
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[(methylsulfanylamino)methyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 139514063
N'-(3-chloro-4-fluorophenyl)-2-[2-(diethylamino)ethyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097610
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-(pyrrolidin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097821
N'-(3-chloro-4-fluorophenyl)-2-[2-(4,4-difluoropiperidin-1-yl)ethylamino]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097832
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[2-(2-methoxyethoxy)ethylamino]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097874
methyl N-[2-[[7-[N'-(3-chloro-4-fluorophenyl)-N-hydroxycarbamimidoyl]-1H-imidazo[4,5-b]pyridin-2-yl]amino]ethyl]carbamate
CID 137146059
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[(1-oxothian-3-yl)methylamino]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 145190734

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluoro-3-phenylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The IUPAC name of N'-(4-fluoro-3-phenylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide (CID 137097629) is N'-(4-fluoro-3-phenylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide.
What is the SMILES notation for N'-(4-fluoro-3-phenylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The canonical SMILES for N'-(4-fluoro-3-phenylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide is ON/C(=N\c1ccc(F)c(-c2ccccc2)c1)c1ccnc2nc[nH]c12.
What is the InChIKey of N'-(4-fluoro-3-phenylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The InChIKey is HFAANUDYLRHYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O/c20-16-7-6-13(10-15(16)12-4-2-1-3-5-12)24-18(25-26)14-8-9-21-19-17(14)22-11-23-19/h1-11,26H,(H,24,25)(H,21,22,23).
What are the key properties of N'-(4-fluoro-3-phenylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
N'-(4-fluoro-3-phenylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide has a molecular weight of 347.35 g/mol, XLogP of 3.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluoro-3-phenylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide is sourced from PubChem (CID 137097629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).