4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-N'-hydrazinylbenzenecarboximidamide

C15H14N6O — CID 163260922

IUPAC4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-N'-hydrazinylbenzenecarboximidamide
SMILESNN/N=C(\N)c1ccc(-n2ccc3cc(C=O)cnc32)cc1
InChIInChI=1S/C15H14N6O/c16-14(19-20-17)11-1-3-13(4-2-11)21-6-5-12-7-10(9-22)8-18-15(12)21/h1-9,20H,17H2,(H2,16,19)
InChIKeyVUFLKVMSOFINPX-UHFFFAOYSA-N
MW294.32 g/mol
LogP0.92
Rot. Bonds4

About 4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-N'-hydrazinylbenzenecarboximidamide

4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-N'-hydrazinylbenzenecarboximidamide (PubChem CID 163260922) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is 4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-N'-hydrazinylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-N'-hydrazinylbenzenecarboximidamide
PubChem CID163260922
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-N'-hydrazinylbenzenecarboximidamide
SMILESNN/N=C(\N)c1ccc(-n2ccc3cc(C=O)cnc32)cc1
InChIInChI=1S/C15H14N6O/c16-14(19-20-17)11-1-3-13(4-2-11)21-6-5-12-7-10(9-22)8-18-15(12)21/h1-9,20H,17H2,(H2,16,19)
InChIKeyVUFLKVMSOFINPX-UHFFFAOYSA-N
XLogP0.92
TPSA111.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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

5-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-2-carbonitrile
CID 163261106
4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-2-hydroxybenzonitrile
CID 163260904
1-[4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)phenyl]cyclopropane-1-carboxylic acid
CID 177185591
1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 156810814
N-ethyl-6-(5-formylpyrrolo[2,3-b]pyridin-1-yl)pyridine-3-carboxamide
CID 156811131
4,4-difluoro-1-methylpiperidine;3-[[4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)benzoyl]amino]-3-methylbutanoic acid
CID 163260929
1-[6-(3-methyl-3-methylsulfanylbut-1-ynyl)-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 177185570
1-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 156811370
1-(6-hydroxy-1,2-dihydropyridin-3-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 163260956
1-[3-(2-formylpyrrolidine-1-carbonyl)phenyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 163260869
N'-[amino-[5-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-3-pyridinyl]amino]propanimidamide;4,4-difluoro-1-methylpiperidine
CID 176715709
1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridine-5-carbaldehyde;1-methylpiperidine
CID 163260880

Frequently Asked Questions

What is the IUPAC name of 4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-N'-hydrazinylbenzenecarboximidamide?
The IUPAC name of 4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-N'-hydrazinylbenzenecarboximidamide (CID 163260922) is 4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-N'-hydrazinylbenzenecarboximidamide.
What is the SMILES notation for 4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-N'-hydrazinylbenzenecarboximidamide?
The canonical SMILES for 4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-N'-hydrazinylbenzenecarboximidamide is NN/N=C(\N)c1ccc(-n2ccc3cc(C=O)cnc32)cc1.
What is the InChIKey of 4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-N'-hydrazinylbenzenecarboximidamide?
The InChIKey is VUFLKVMSOFINPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O/c16-14(19-20-17)11-1-3-13(4-2-11)21-6-5-12-7-10(9-22)8-18-15(12)21/h1-9,20H,17H2,(H2,16,19).
What are the key properties of 4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-N'-hydrazinylbenzenecarboximidamide?
4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-N'-hydrazinylbenzenecarboximidamide has a molecular weight of 294.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-formylpyrrolo[2,3-b]pyridin-1-yl)-N'-hydrazinylbenzenecarboximidamide is sourced from PubChem (CID 163260922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).