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

C14H12F2N6 — CID 123648665

IUPACN'-amino-1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide
SMILESN/N=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 123648665) 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 CID123648665
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
SMILESN/N=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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Related Compounds

N'-amino-1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 66655946
1-[(2-fluoro-3-methylphenyl)methyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide
CID 136639808
2-[[amino-[1-[(2,3-difluorophenyl)methyl]-5-fluoropyrazolo[5,4-b]pyridin-3-yl]methylidene]amino]acetic acid
CID 71285654
N-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 123253972
N-[[amino-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]methylidene]amino]oxetane-2-carboxamide
CID 154023247
N-(1-aminoethylidene)-1-[(2-fluorophenyl)methyl]-N'-[(E)-2-hydroxyprop-1-enyl]pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 142185000
5-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazole-3-carbonitrile
CID 134499746
1-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-N-methylmethanimine
CID 142142282
N'-[bis(methylsulfanyl)methylideneamino]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine
CID 172947826
5-cyclopropyl-2-[1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine;propanoic acid
CID 158125501
N-[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 130243560
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 130243949

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 123648665) 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 N/N=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 123648665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).