5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide

C11H9F6N5 — CID 86715168

IUPAC5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1nn(CCC(F)(F)C(F)(F)F)c2ncc(F)cc12
InChIInChI=1S/C11H9F6N5/c12-5-3-6-7(8(18)19)21-22(9(6)20-4-5)2-1-10(13,14)11(15,16)17/h3-4H,1-2H2,(H3,18,19)
InChIKeyMUNDMGLIJOINMV-UHFFFAOYSA-N
MW325.22 g/mol
LogP2.44
Rot. Bonds4

About 5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide

5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide (PubChem CID 86715168) has the molecular formula C11H9F6N5 and a molecular weight of 325.22 g/mol. Its IUPAC name is 5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide.

Molecular Properties

Compound Name5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide
PubChem CID86715168
Molecular FormulaC11H9F6N5
Molecular Weight325.22 g/mol
Exact Mass325.08
IUPAC Name5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1nn(CCC(F)(F)C(F)(F)F)c2ncc(F)cc12
InChIInChI=1S/C11H9F6N5/c12-5-3-6-7(8(18)19)21-22(9(6)20-4-5)2-1-10(13,14)11(15,16)17/h3-4H,1-2H2,(H3,18,19)
InChIKeyMUNDMGLIJOINMV-UHFFFAOYSA-N
XLogP2.44
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 52.44
H-Bond Donors ≤ 52
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': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 86678983
1-[5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]ethanone
CID 170093003
1-[(2,6-difluorophenyl)methyl]-5-fluoropyrazolo[5,4-b]pyridine-3-carboximidamide
CID 169021002
5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydrochloride
CID 86686151
6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazole-3-carboximidamide
CID 86678973
1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 86679010
2-imino-2-[1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]ethanamine
CID 157110168
7-methyl-2-(3,3,4,4,4-pentafluorobutyl)pyrrolo[2,3-d]pyrimidine-4-carboximidamide
CID 122616751
3-chloro-1-methyl-6-(3,3,4,4,4-pentafluorobutyl)pyrazolo[3,4-d]pyrimidine-4-carboximidamide
CID 122616711
(4S,5R)-10-[5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-4-methoxy-5-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-triene-3,6-dione
CID 172547901
2-chloro-5-fluoropyridine-3-carbonitrile;5-fluoro-3-iodo-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine;3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile;5-fluoro-1-(pyrimidin-2-ylmethyl)pyrazolo[5,4-b]pyridine-3-carboximidamide;3-fluoro-7H-pyrrolo[3,4-b]pyridin-5-amine
CID 158833723
4-amino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one;5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;methyl 2-[cyano(isocyano)methyl]-3,3,3-trifluoro-2-methylpropanoate
CID 158905991

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide?
The IUPAC name of 5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide (CID 86715168) is 5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide.
What is the SMILES notation for 5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide?
The canonical SMILES for 5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide is [H]/N=C(\N)c1nn(CCC(F)(F)C(F)(F)F)c2ncc(F)cc12.
What is the InChIKey of 5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide?
The InChIKey is MUNDMGLIJOINMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6N5/c12-5-3-6-7(8(18)19)21-22(9(6)20-4-5)2-1-10(13,14)11(15,16)17/h3-4H,1-2H2,(H3,18,19).
What are the key properties of 5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide?
5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide has a molecular weight of 325.22 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide is sourced from PubChem (CID 86715168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).