N'-amino-1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide

C14H12F2N6 — CID 66655946

IUPACN'-amino-1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide
SMILESNN=C(N)c1nn(Cc2cccc(F)c2F)c2ncccc12
InChIInChI=1S/C14H12F2N6/c15-10-5-1-3-8(11(10)16)7-22-14-9(4-2-6-19-14)12(21-22)13(17)20-18/h1-6H,7,18H2,(H2,17,20)
InChIKeyMTHIZOJIDQNWCD-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.34
Rot. Bonds3

About N'-amino-1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide

N'-amino-1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide (PubChem CID 66655946) has the molecular formula C14H12F2N6 and a molecular weight of 302.29 g/mol. Its IUPAC name is N'-amino-1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-amino-1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide
PubChem CID66655946
Molecular FormulaC14H12F2N6
Molecular Weight302.29 g/mol
Exact Mass302.11
IUPAC NameN'-amino-1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide
SMILESNN=C(N)c1nn(Cc2cccc(F)c2F)c2ncccc12
InChIInChI=1S/C14H12F2N6/c15-10-5-1-3-8(11(10)16)7-22-14-9(4-2-6-19-14)12(21-22)13(17)20-18/h1-6H,7,18H2,(H2,17,20)
InChIKeyMTHIZOJIDQNWCD-UHFFFAOYSA-N
XLogP1.34
TPSA95.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N'-amino-1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide?
The IUPAC name of N'-amino-1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide (CID 66655946) is N'-amino-1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide.
What is the SMILES notation for N'-amino-1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide?
The canonical SMILES for N'-amino-1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide is NN=C(N)c1nn(Cc2cccc(F)c2F)c2ncccc12.
What is the InChIKey of N'-amino-1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide?
The InChIKey is MTHIZOJIDQNWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N6/c15-10-5-1-3-8(11(10)16)7-22-14-9(4-2-6-19-14)12(21-22)13(17)20-18/h1-6H,7,18H2,(H2,17,20).
What are the key properties of N'-amino-1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide?
N'-amino-1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide has a molecular weight of 302.29 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide is sourced from PubChem (CID 66655946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).