N-(1-aminoethylidene)-1-[(2-fluorophenyl)methyl]-N'-[(E)-2-hydroxyprop-1-enyl]pyrazolo[5,4-b]pyridine-3-carboximidamide

C19H19FN6O — CID 142185000

IUPACN-(1-aminoethylidene)-1-[(2-fluorophenyl)methyl]-N'-[(E)-2-hydroxyprop-1-enyl]pyrazolo[5,4-b]pyridine-3-carboximidamide
SMILESC/C(O)=C\N=C(\N=C(/C)N)c1nn(Cc2ccccc2F)c2ncccc12
InChIInChI=1S/C19H19FN6O/c1-12(27)10-23-18(24-13(2)21)17-15-7-5-9-22-19(15)26(25-17)11-14-6-3-4-8-16(14)20/h3-10,27H,11H2,1-2H3,(H2,21,23,24)/b12-10+
InChIKeyXQKFTSYAMPNUDD-ZRDIBKRKSA-N
MW366.40 g/mol
LogP3.16
Rot. Bonds4

About N-(1-aminoethylidene)-1-[(2-fluorophenyl)methyl]-N'-[(E)-2-hydroxyprop-1-enyl]pyrazolo[5,4-b]pyridine-3-carboximidamide

N-(1-aminoethylidene)-1-[(2-fluorophenyl)methyl]-N'-[(E)-2-hydroxyprop-1-enyl]pyrazolo[5,4-b]pyridine-3-carboximidamide (PubChem CID 142185000) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(1-aminoethylidene)-1-[(2-fluorophenyl)methyl]-N'-[(E)-2-hydroxyprop-1-enyl]pyrazolo[5,4-b]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN-(1-aminoethylidene)-1-[(2-fluorophenyl)methyl]-N'-[(E)-2-hydroxyprop-1-enyl]pyrazolo[5,4-b]pyridine-3-carboximidamide
PubChem CID142185000
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC NameN-(1-aminoethylidene)-1-[(2-fluorophenyl)methyl]-N'-[(E)-2-hydroxyprop-1-enyl]pyrazolo[5,4-b]pyridine-3-carboximidamide
SMILESC/C(O)=C\N=C(\N=C(/C)N)c1nn(Cc2ccccc2F)c2ncccc12
InChIInChI=1S/C19H19FN6O/c1-12(27)10-23-18(24-13(2)21)17-15-7-5-9-22-19(15)26(25-17)11-14-6-3-4-8-16(14)20/h3-10,27H,11H2,1-2H3,(H2,21,23,24)/b12-10+
InChIKeyXQKFTSYAMPNUDD-ZRDIBKRKSA-N
XLogP3.16
TPSA101.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-N-methylmethanimine
CID 142142282
N-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 123253972
N'-amino-1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 66655946
N'-amino-1-[(2,3-difluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 123648665
4-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboximidamide;hydrochloride
CID 159463183
1-[(2-fluoro-3-methylphenyl)methyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide
CID 136639808
N-[[amino-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]methylidene]amino]oxetane-2-carboxamide
CID 154023247
3-[1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]ethenylamino]-2-morpholin-4-ylbut-2-enimidamide
CID 173100067
5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydrochloride
CID 86686151
2-ethyl-5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazole-3-carboxylic acid
CID 130229228
6-(1-fluoroethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine
CID 71612612
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine
CID 131874918

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethylidene)-1-[(2-fluorophenyl)methyl]-N'-[(E)-2-hydroxyprop-1-enyl]pyrazolo[5,4-b]pyridine-3-carboximidamide?
The IUPAC name of N-(1-aminoethylidene)-1-[(2-fluorophenyl)methyl]-N'-[(E)-2-hydroxyprop-1-enyl]pyrazolo[5,4-b]pyridine-3-carboximidamide (CID 142185000) is N-(1-aminoethylidene)-1-[(2-fluorophenyl)methyl]-N'-[(E)-2-hydroxyprop-1-enyl]pyrazolo[5,4-b]pyridine-3-carboximidamide.
What is the SMILES notation for N-(1-aminoethylidene)-1-[(2-fluorophenyl)methyl]-N'-[(E)-2-hydroxyprop-1-enyl]pyrazolo[5,4-b]pyridine-3-carboximidamide?
The canonical SMILES for N-(1-aminoethylidene)-1-[(2-fluorophenyl)methyl]-N'-[(E)-2-hydroxyprop-1-enyl]pyrazolo[5,4-b]pyridine-3-carboximidamide is C/C(O)=C\N=C(\N=C(/C)N)c1nn(Cc2ccccc2F)c2ncccc12.
What is the InChIKey of N-(1-aminoethylidene)-1-[(2-fluorophenyl)methyl]-N'-[(E)-2-hydroxyprop-1-enyl]pyrazolo[5,4-b]pyridine-3-carboximidamide?
The InChIKey is XQKFTSYAMPNUDD-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-12(27)10-23-18(24-13(2)21)17-15-7-5-9-22-19(15)26(25-17)11-14-6-3-4-8-16(14)20/h3-10,27H,11H2,1-2H3,(H2,21,23,24)/b12-10+.
What are the key properties of N-(1-aminoethylidene)-1-[(2-fluorophenyl)methyl]-N'-[(E)-2-hydroxyprop-1-enyl]pyrazolo[5,4-b]pyridine-3-carboximidamide?
N-(1-aminoethylidene)-1-[(2-fluorophenyl)methyl]-N'-[(E)-2-hydroxyprop-1-enyl]pyrazolo[5,4-b]pyridine-3-carboximidamide has a molecular weight of 366.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylidene)-1-[(2-fluorophenyl)methyl]-N'-[(E)-2-hydroxyprop-1-enyl]pyrazolo[5,4-b]pyridine-3-carboximidamide is sourced from PubChem (CID 142185000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).