1-[(2,6-difluorophenyl)methyl]-5-fluoropyrazolo[5,4-b]pyridine-3-carboximidamide

C14H10F3N5 — CID 169021002

IUPAC1-[(2,6-difluorophenyl)methyl]-5-fluoropyrazolo[5,4-b]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1nn(Cc2c(F)cccc2F)c2ncc(F)cc12
InChIInChI=1S/C14H10F3N5/c15-7-4-8-12(13(18)19)21-22(14(8)20-5-7)6-9-10(16)2-1-3-11(9)17/h1-5H,6H2,(H3,18,19)
InChIKeyPXNRENKDKSSTHK-UHFFFAOYSA-N
MW305.26 g/mol
LogP2.18
Rot. Bonds3

About 1-[(2,6-difluorophenyl)methyl]-5-fluoropyrazolo[5,4-b]pyridine-3-carboximidamide

1-[(2,6-difluorophenyl)methyl]-5-fluoropyrazolo[5,4-b]pyridine-3-carboximidamide (PubChem CID 169021002) has the molecular formula C14H10F3N5 and a molecular weight of 305.26 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-5-fluoropyrazolo[5,4-b]pyridine-3-carboximidamide.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-5-fluoropyrazolo[5,4-b]pyridine-3-carboximidamide
PubChem CID169021002
Molecular FormulaC14H10F3N5
Molecular Weight305.26 g/mol
Exact Mass305.09
IUPAC Name1-[(2,6-difluorophenyl)methyl]-5-fluoropyrazolo[5,4-b]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1nn(Cc2c(F)cccc2F)c2ncc(F)cc12
InChIInChI=1S/C14H10F3N5/c15-7-4-8-12(13(18)19)21-22(14(8)20-5-7)6-9-10(16)2-1-3-11(9)17/h1-5H,6H2,(H3,18,19)
InChIKeyPXNRENKDKSSTHK-UHFFFAOYSA-N
XLogP2.18
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 52.18
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

CID 54674461
CID 54674461
CID 11198924
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CID 9798973
CID 9798973
CID 71533696
CID 71533696
CID 9821250
CID 9821250
CID 1400
CID 1400
CID 11644425
CID 11644425
CID 4879
CID 4879
CID 10492061
CID 10492061
CID 53355503
CID 53355503
CID 719986
CID 719986
CID 95882507
CID 95882507

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-5-fluoropyrazolo[5,4-b]pyridine-3-carboximidamide?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-5-fluoropyrazolo[5,4-b]pyridine-3-carboximidamide (CID 169021002) is 1-[(2,6-difluorophenyl)methyl]-5-fluoropyrazolo[5,4-b]pyridine-3-carboximidamide.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-5-fluoropyrazolo[5,4-b]pyridine-3-carboximidamide?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-5-fluoropyrazolo[5,4-b]pyridine-3-carboximidamide is [H]/N=C(\N)c1nn(Cc2c(F)cccc2F)c2ncc(F)cc12.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-5-fluoropyrazolo[5,4-b]pyridine-3-carboximidamide?
The InChIKey is PXNRENKDKSSTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5/c15-7-4-8-12(13(18)19)21-22(14(8)20-5-7)6-9-10(16)2-1-3-11(9)17/h1-5H,6H2,(H3,18,19).
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-5-fluoropyrazolo[5,4-b]pyridine-3-carboximidamide?
1-[(2,6-difluorophenyl)methyl]-5-fluoropyrazolo[5,4-b]pyridine-3-carboximidamide has a molecular weight of 305.26 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-5-fluoropyrazolo[5,4-b]pyridine-3-carboximidamide is sourced from PubChem (CID 169021002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).