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

C16H12FN5O — CID 137097724

IUPACN'-(4-fluoro-3-prop-1-ynylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
SMILESCC#Cc1cc(/N=C(\NO)c2ccnc3nc[nH]c23)ccc1F
InChIInChI=1S/C16H12FN5O/c1-2-3-10-8-11(4-5-13(10)17)21-15(22-23)12-6-7-18-16-14(12)19-9-20-16/h4-9,23H,1H3,(H,21,22)(H,18,19,20)
InChIKeyADZCYZUWONMIDP-UHFFFAOYSA-N
MW309.30 g/mol
LogP2.53
Rot. Bonds2

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

N'-(4-fluoro-3-prop-1-ynylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide (PubChem CID 137097724) has the molecular formula C16H12FN5O and a molecular weight of 309.30 g/mol. Its IUPAC name is N'-(4-fluoro-3-prop-1-ynylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide.

Molecular Properties

Compound NameN'-(4-fluoro-3-prop-1-ynylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
PubChem CID137097724
Molecular FormulaC16H12FN5O
Molecular Weight309.30 g/mol
Exact Mass309.10
IUPAC NameN'-(4-fluoro-3-prop-1-ynylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
SMILESCC#Cc1cc(/N=C(\NO)c2ccnc3nc[nH]c23)ccc1F
InChIInChI=1S/C16H12FN5O/c1-2-3-10-8-11(4-5-13(10)17)21-15(22-23)12-6-7-18-16-14(12)19-9-20-16/h4-9,23H,1H3,(H,21,22)(H,18,19,20)
InChIKeyADZCYZUWONMIDP-UHFFFAOYSA-N
XLogP2.53
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 52.53
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'}

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Related Compounds

N'-[3-(2-cyclopropylethynyl)-4-fluorophenyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097693
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-[(methylsulfanylamino)methyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 139514063
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)-2-[2-(diethylamino)ethyl]-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097610
N-(3-but-1-ynyl-4-fluorophenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 122704437
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-(oxolan-3-ylamino)-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097897
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-[(3-hydroxypropylamino)methyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097823
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[(3-methoxypropylamino)methyl]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097632
N'-(3-chloro-4-fluorophenyl)-N-hydroxy-2-[2-(2-methoxyethoxy)ethylamino]-1H-imidazo[4,5-b]pyridine-7-carboximidamide
CID 137097874

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluoro-3-prop-1-ynylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The IUPAC name of N'-(4-fluoro-3-prop-1-ynylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide (CID 137097724) is N'-(4-fluoro-3-prop-1-ynylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide.
What is the SMILES notation for N'-(4-fluoro-3-prop-1-ynylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The canonical SMILES for N'-(4-fluoro-3-prop-1-ynylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide is CC#Cc1cc(/N=C(\NO)c2ccnc3nc[nH]c23)ccc1F.
What is the InChIKey of N'-(4-fluoro-3-prop-1-ynylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
The InChIKey is ADZCYZUWONMIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O/c1-2-3-10-8-11(4-5-13(10)17)21-15(22-23)12-6-7-18-16-14(12)19-9-20-16/h4-9,23H,1H3,(H,21,22)(H,18,19,20).
What are the key properties of N'-(4-fluoro-3-prop-1-ynylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide?
N'-(4-fluoro-3-prop-1-ynylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide has a molecular weight of 309.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluoro-3-prop-1-ynylphenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide is sourced from PubChem (CID 137097724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).