N'-[(2-chloro-6-fluorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide

C18H17ClFN5O — CID 52530546

IUPACN'-[(2-chloro-6-fluorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide
SMILESCc1cc(C)n(-c2ccc(/C(N)=N\OCc3c(F)cccc3Cl)cn2)n1
InChIInChI=1S/C18H17ClFN5O/c1-11-8-12(2)25(23-11)17-7-6-13(9-22-17)18(21)24-26-10-14-15(19)4-3-5-16(14)20/h3-9H,10H2,1-2H3,(H2,21,24)
InChIKeyPFKXXGIURSODOF-UHFFFAOYSA-N
MW373.82 g/mol
LogP3.51
Rot. Bonds5

About N'-[(2-chloro-6-fluorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide

N'-[(2-chloro-6-fluorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide (PubChem CID 52530546) has the molecular formula C18H17ClFN5O and a molecular weight of 373.82 g/mol. Its IUPAC name is N'-[(2-chloro-6-fluorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-[(2-chloro-6-fluorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide
PubChem CID52530546
Molecular FormulaC18H17ClFN5O
Molecular Weight373.82 g/mol
Exact Mass373.11
IUPAC NameN'-[(2-chloro-6-fluorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide
SMILESCc1cc(C)n(-c2ccc(/C(N)=N\OCc3c(F)cccc3Cl)cn2)n1
InChIInChI=1S/C18H17ClFN5O/c1-11-8-12(2)25(23-11)17-7-6-13(9-22-17)18(21)24-26-10-14-15(19)4-3-5-16(14)20/h3-9H,10H2,1-2H3,(H2,21,24)
InChIKeyPFKXXGIURSODOF-UHFFFAOYSA-N
XLogP3.51
TPSA78.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-[(2-chlorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide
CID 52527082
6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(4-fluorophenoxy)propoxy]pyridine-3-carboximidamide
CID 60604264
6-(3,5-dimethylpyrazol-1-yl)-N'-[(2-methoxy-5-methylphenyl)methoxy]pyridine-3-carboximidamide
CID 126812366
methyl 5-[[(E)-[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxymethyl]furan-2-carboxylate
CID 60609575
2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3-iodophenyl)acetamide
CID 75264712
(2-fluorophenyl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55644962
6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propoxy]pyridine-3-carboximidamide
CID 75397025
(3-chlorophenyl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 46428242
2-[(Z)-[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3,3-diphenylpropyl)acetamide
CID 60609646
N'-[(2-chloro-6-fluorophenyl)methoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 75264625
(2,4-dichlorophenyl) 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55667631
6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide;dihydrochloride
CID 47002494

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chloro-6-fluorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide?
The IUPAC name of N'-[(2-chloro-6-fluorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide (CID 52530546) is N'-[(2-chloro-6-fluorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide.
What is the SMILES notation for N'-[(2-chloro-6-fluorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide?
The canonical SMILES for N'-[(2-chloro-6-fluorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide is Cc1cc(C)n(-c2ccc(/C(N)=N\OCc3c(F)cccc3Cl)cn2)n1.
What is the InChIKey of N'-[(2-chloro-6-fluorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide?
The InChIKey is PFKXXGIURSODOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN5O/c1-11-8-12(2)25(23-11)17-7-6-13(9-22-17)18(21)24-26-10-14-15(19)4-3-5-16(14)20/h3-9H,10H2,1-2H3,(H2,21,24).
What are the key properties of N'-[(2-chloro-6-fluorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide?
N'-[(2-chloro-6-fluorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide has a molecular weight of 373.82 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chloro-6-fluorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide is sourced from PubChem (CID 52530546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).