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

C11H10F5N5 — CID 86678983

IUPAC1-(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)c2ncccc12
InChIInChI=1S/C11H10F5N5/c12-10(13,11(14,15)16)3-5-21-9-6(2-1-4-19-9)7(20-21)8(17)18/h1-2,4H,3,5H2,(H3,17,18)
InChIKeyIJRFCFHOXDEGPS-UHFFFAOYSA-N
MW307.23 g/mol
LogP2.30
Rot. Bonds4

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

1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide (PubChem CID 86678983) has the molecular formula C11H10F5N5 and a molecular weight of 307.23 g/mol. Its IUPAC name is 1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide.

Molecular Properties

Compound Name1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide
PubChem CID86678983
Molecular FormulaC11H10F5N5
Molecular Weight307.23 g/mol
Exact Mass307.09
IUPAC Name1-(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)c2ncccc12
InChIInChI=1S/C11H10F5N5/c12-10(13,11(14,15)16)3-5-21-9-6(2-1-4-19-9)7(20-21)8(17)18/h1-2,4H,3,5H2,(H3,17,18)
InChIKeyIJRFCFHOXDEGPS-UHFFFAOYSA-N
XLogP2.30
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 52.30
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-(3,3,3-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
5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 86715168
6-chloro-1-(3,3,4,4,4-pentafluorobutyl)indazole-3-carboximidamide
CID 86678973
7-methyl-2-(3,3,4,4,4-pentafluorobutyl)pyrrolo[2,3-d]pyrimidine-4-carboximidamide
CID 122616751
2-(3-carbamoylpyrazolo[5,4-b]pyridin-1-yl)acetic acid
CID 71009624
1-[(2,6-difluorophenyl)methyl]-5-fluoropyrazolo[5,4-b]pyridine-3-carboximidamide
CID 169021002
2-[5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]pyrido[2,3-d]pyrimidin-4-amine
CID 71736526
1-[5-fluoro-1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]ethanone
CID 170093003
(5R)-4-amino-5-methyl-2-[1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridin-3-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 139537889
4-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide;hydrochloride
CID 159463183
5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydrochloride
CID 86686151

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide?
The IUPAC name of 1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide (CID 86678983) is 1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide.
What is the SMILES notation for 1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide?
The canonical SMILES for 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)c2ncccc12.
What is the InChIKey of 1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide?
The InChIKey is IJRFCFHOXDEGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5N5/c12-10(13,11(14,15)16)3-5-21-9-6(2-1-4-19-9)7(20-21)8(17)18/h1-2,4H,3,5H2,(H3,17,18).
What are the key properties of 1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide?
1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide has a molecular weight of 307.23 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide is sourced from PubChem (CID 86678983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).