N'-[3-(2-cyclopropylethynyl)-4-fluorophenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide

C18H14FN5O — CID 137097693

IUPACN'-[3-(2-cyclopropylethynyl)-4-fluorophenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
SMILESON/C(=N\c1ccc(F)c(C#CC2CC2)c1)c1ccnc2nc[nH]c12
InChIInChI=1S/C18H14FN5O/c19-15-6-5-13(9-12(15)4-3-11-1-2-11)23-17(24-25)14-7-8-20-18-16(14)21-10-22-18/h5-11,25H,1-2H2,(H,23,24)(H,20,21,22)
InChIKeyPEXROSHIJYOFMH-UHFFFAOYSA-N
MW335.34 g/mol
LogP2.92
Rot. Bonds2

About N'-[3-(2-cyclopropylethynyl)-4-fluorophenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide

N'-[3-(2-cyclopropylethynyl)-4-fluorophenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide (PubChem CID 137097693) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is N'-[3-(2-cyclopropylethynyl)-4-fluorophenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide.

Molecular Properties

Compound NameN'-[3-(2-cyclopropylethynyl)-4-fluorophenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
PubChem CID137097693
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC NameN'-[3-(2-cyclopropylethynyl)-4-fluorophenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
SMILESON/C(=N\c1ccc(F)c(C#CC2CC2)c1)c1ccnc2nc[nH]c12
InChIInChI=1S/C18H14FN5O/c19-15-6-5-13(9-12(15)4-3-11-1-2-11)23-17(24-25)14-7-8-20-18-16(14)21-10-22-18/h5-11,25H,1-2H2,(H,23,24)(H,20,21,22)
InChIKeyPEXROSHIJYOFMH-UHFFFAOYSA-N
XLogP2.92
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.92
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N'-[3-(2-cyclopropylethynyl)-4-fluorophenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-fluoro-3-prop-1-ynylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097724
N'-(4-fluoro-3-phenylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097629
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-(pyrrolidin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097821
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-(2-hydroxyethyl)-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097673
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[(1-methylpiperidin-2-yl)methylamino]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097644
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)-N-hydroxy-2-[(1-oxothian-3-yl)methylamino]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 145190734
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)-2-[2-(diethylamino)ethyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097610
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[(1,3-thiazol-2-ylmethylamino)methyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097881
N-(3-but-1-ynyl-4-fluorophenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 122704437

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-cyclopropylethynyl)-4-fluorophenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The IUPAC name of N'-[3-(2-cyclopropylethynyl)-4-fluorophenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide (CID 137097693) is N'-[3-(2-cyclopropylethynyl)-4-fluorophenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide.
What is the SMILES notation for N'-[3-(2-cyclopropylethynyl)-4-fluorophenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The canonical SMILES for N'-[3-(2-cyclopropylethynyl)-4-fluorophenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide is ON/C(=N\c1ccc(F)c(C#CC2CC2)c1)c1ccnc2nc[nH]c12.
What is the InChIKey of N'-[3-(2-cyclopropylethynyl)-4-fluorophenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The InChIKey is PEXROSHIJYOFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c19-15-6-5-13(9-12(15)4-3-11-1-2-11)23-17(24-25)14-7-8-20-18-16(14)21-10-22-18/h5-11,25H,1-2H2,(H,23,24)(H,20,21,22).
What are the key properties of N'-[3-(2-cyclopropylethynyl)-4-fluorophenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
N'-[3-(2-cyclopropylethynyl)-4-fluorophenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide has a molecular weight of 335.34 g/mol, XLogP of 2.92, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-cyclopropylethynyl)-4-fluorophenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide is sourced from PubChem (CID 137097693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).