N-[[amino-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]methylidene]amino]oxetane-2-carboxamide

C18H17FN6O2 — CID 154023247

IUPACN-[[amino-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]methylidene]amino]oxetane-2-carboxamide
SMILESNC(=NNC(=O)C1CCO1)c1nn(Cc2ccccc2F)c2ncccc12
InChIInChI=1S/C18H17FN6O2/c19-13-6-2-1-4-11(13)10-25-17-12(5-3-8-21-17)15(24-25)16(20)22-23-18(26)14-7-9-27-14/h1-6,8,14H,7,9-10H2,(H2,20,22)(H,23,26)
InChIKeyFOTOMQOOFRADIF-UHFFFAOYSA-N
MW368.37 g/mol
LogP1.14
Rot. Bonds5

About N-[[amino-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]methylidene]amino]oxetane-2-carboxamide

N-[[amino-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]methylidene]amino]oxetane-2-carboxamide (PubChem CID 154023247) has the molecular formula C18H17FN6O2 and a molecular weight of 368.37 g/mol. Its IUPAC name is N-[[amino-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]methylidene]amino]oxetane-2-carboxamide.

Molecular Properties

Compound NameN-[[amino-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]methylidene]amino]oxetane-2-carboxamide
PubChem CID154023247
Molecular FormulaC18H17FN6O2
Molecular Weight368.37 g/mol
Exact Mass368.14
IUPAC NameN-[[amino-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]methylidene]amino]oxetane-2-carboxamide
SMILESNC(=NNC(=O)C1CCO1)c1nn(Cc2ccccc2F)c2ncccc12
InChIInChI=1S/C18H17FN6O2/c19-13-6-2-1-4-11(13)10-25-17-12(5-3-8-21-17)15(24-25)16(20)22-23-18(26)14-7-9-27-14/h1-6,8,14H,7,9-10H2,(H2,20,22)(H,23,26)
InChIKeyFOTOMQOOFRADIF-UHFFFAOYSA-N
XLogP1.14
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-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
N-(1-aminoethylidene)-1-[(2-fluorophenyl)methyl]-N'-[(E)-2-hydroxyprop-1-enyl]pyrazolo[5,4-b]pyridine-3-carboximidamide
CID 142185000
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 130243949
1-[(2-fluoro-3-methylphenyl)methyl]-N'-hydroxypyrazolo[5,4-b]pyridine-3-carboximidamide
CID 136639808
3-[1-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]ethenylamino]-2-morpholin-4-ylbut-2-enimidamide
CID 173100067
N-[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 130243560
1-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]-N-methylmethanimine
CID 142142282
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,3-oxazol-5-one
CID 157406847
5-(cyclopropylmethyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine
CID 137444694
5-N-cyclobutyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine
CID 66635083

Frequently Asked Questions

What is the IUPAC name of N-[[amino-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]methylidene]amino]oxetane-2-carboxamide?
The IUPAC name of N-[[amino-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]methylidene]amino]oxetane-2-carboxamide (CID 154023247) is N-[[amino-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]methylidene]amino]oxetane-2-carboxamide.
What is the SMILES notation for N-[[amino-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]methylidene]amino]oxetane-2-carboxamide?
The canonical SMILES for N-[[amino-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]methylidene]amino]oxetane-2-carboxamide is NC(=NNC(=O)C1CCO1)c1nn(Cc2ccccc2F)c2ncccc12.
What is the InChIKey of N-[[amino-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]methylidene]amino]oxetane-2-carboxamide?
The InChIKey is FOTOMQOOFRADIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O2/c19-13-6-2-1-4-11(13)10-25-17-12(5-3-8-21-17)15(24-25)16(20)22-23-18(26)14-7-9-27-14/h1-6,8,14H,7,9-10H2,(H2,20,22)(H,23,26).
What are the key properties of N-[[amino-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]methylidene]amino]oxetane-2-carboxamide?
N-[[amino-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]methylidene]amino]oxetane-2-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[amino-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]methylidene]amino]oxetane-2-carboxamide is sourced from PubChem (CID 154023247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).