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

C10H10F3N5 — CID 86679010

IUPAC1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1nn(CCC(F)(F)F)c2ncccc12
InChIInChI=1S/C10H10F3N5/c11-10(12,13)3-5-18-9-6(2-1-4-16-9)7(17-18)8(14)15/h1-2,4H,3,5H2,(H3,14,15)
InChIKeyRYWMKWUEYCGUHX-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.67
Rot. Bonds3

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

1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine-3-carboximidamide (PubChem CID 86679010) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine-3-carboximidamide.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine-3-carboximidamide
PubChem CID86679010
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC Name1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1nn(CCC(F)(F)F)c2ncccc12
InChIInChI=1S/C10H10F3N5/c11-10(12,13)3-5-18-9-6(2-1-4-16-9)7(17-18)8(14)15/h1-2,4H,3,5H2,(H3,14,15)
InChIKeyRYWMKWUEYCGUHX-UHFFFAOYSA-N
XLogP1.67
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.67
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'}

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Related Compounds

1-(3,3,4,4,4-pentafluorobutyl)pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 86678983
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
3-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine
CID 146433891
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
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
1-(3,3,3-trifluoropropyl)indazole-3-carboxylic acid
CID 64566513
2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
CID 24699862
3-(4,4,4-trifluorobutoxy)pyrazine-2-carboximidamide
CID 82788951

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine-3-carboximidamide?
The IUPAC name of 1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine-3-carboximidamide (CID 86679010) is 1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine-3-carboximidamide.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine-3-carboximidamide?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine-3-carboximidamide is [H]/N=C(\N)c1nn(CCC(F)(F)F)c2ncccc12.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine-3-carboximidamide?
The InChIKey is RYWMKWUEYCGUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c11-10(12,13)3-5-18-9-6(2-1-4-16-9)7(17-18)8(14)15/h1-2,4H,3,5H2,(H3,14,15).
What are the key properties of 1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine-3-carboximidamide?
1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine-3-carboximidamide has a molecular weight of 257.22 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine-3-carboximidamide is sourced from PubChem (CID 86679010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).