[[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-methoxymethylidene]azanium

C15H14FN4O+ — CID 142879524

IUPAC[[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-methoxymethylidene]azanium
SMILESCOC(=[NH2+])c1nn(Cc2ccccc2F)c2ncccc12
InChIInChI=1S/C15H13FN4O/c1-21-14(17)13-11-6-4-8-18-15(11)20(19-13)9-10-5-2-3-7-12(10)16/h2-8,17H,9H2,1H3/p+1
InChIKeyWSKGRWHECMNHBT-UHFFFAOYSA-O
MW285.30 g/mol
LogP0.77
Rot. Bonds3

About [[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-methoxymethylidene]azanium

[[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-methoxymethylidene]azanium (PubChem CID 142879524) has the molecular formula C15H14FN4O+ and a molecular weight of 285.30 g/mol. Its IUPAC name is [[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-methoxymethylidene]azanium.

Molecular Properties

Compound Name[[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-methoxymethylidene]azanium
PubChem CID142879524
Molecular FormulaC15H14FN4O+
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name[[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-methoxymethylidene]azanium
SMILESCOC(=[NH2+])c1nn(Cc2ccccc2F)c2ncccc12
InChIInChI=1S/C15H13FN4O/c1-21-14(17)13-11-6-4-8-18-15(11)20(19-13)9-10-5-2-3-7-12(10)16/h2-8,17H,9H2,1H3/p+1
InChIKeyWSKGRWHECMNHBT-UHFFFAOYSA-O
XLogP0.77
TPSA65.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of [[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-methoxymethylidene]azanium?
The IUPAC name of [[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-methoxymethylidene]azanium (CID 142879524) is [[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-methoxymethylidene]azanium.
What is the SMILES notation for [[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-methoxymethylidene]azanium?
The canonical SMILES for [[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-methoxymethylidene]azanium is COC(=[NH2+])c1nn(Cc2ccccc2F)c2ncccc12.
What is the InChIKey of [[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-methoxymethylidene]azanium?
The InChIKey is WSKGRWHECMNHBT-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H13FN4O/c1-21-14(17)13-11-6-4-8-18-15(11)20(19-13)9-10-5-2-3-7-12(10)16/h2-8,17H,9H2,1H3/p+1.
What are the key properties of [[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-methoxymethylidene]azanium?
[[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-methoxymethylidene]azanium has a molecular weight of 285.30 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-methoxymethylidene]azanium is sourced from PubChem (CID 142879524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).