6-cyclopropyl-N-[(5-fluorothiophen-2-yl)methylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C17H16FN5OS — CID 171130838

IUPAC6-cyclopropyl-N-[(5-fluorothiophen-2-yl)methylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)NN=Cc3ccc(F)s3)c12
InChIInChI=1S/C17H16FN5OS/c1-9-15-12(17(24)21-19-8-11-5-6-14(18)25-11)7-13(10-3-4-10)20-16(15)23(2)22-9/h5-8,10H,3-4H2,1-2H3,(H,21,24)
InChIKeyWRGAPMZDIYEDII-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.12
Rot. Bonds4

About 6-cyclopropyl-N-[(5-fluorothiophen-2-yl)methylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[(5-fluorothiophen-2-yl)methylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 171130838) has the molecular formula C17H16FN5OS and a molecular weight of 357.41 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(5-fluorothiophen-2-yl)methylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[(5-fluorothiophen-2-yl)methylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID171130838
Molecular FormulaC17H16FN5OS
Molecular Weight357.41 g/mol
Exact Mass357.11
IUPAC Name6-cyclopropyl-N-[(5-fluorothiophen-2-yl)methylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)NN=Cc3ccc(F)s3)c12
InChIInChI=1S/C17H16FN5OS/c1-9-15-12(17(24)21-19-8-11-5-6-14(18)25-11)7-13(10-3-4-10)20-16(15)23(2)22-9/h5-8,10H,3-4H2,1-2H3,(H,21,24)
InChIKeyWRGAPMZDIYEDII-UHFFFAOYSA-N
XLogP3.12
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(5-fluorothiophen-2-yl)methylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[(5-fluorothiophen-2-yl)methylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 171130838) is 6-cyclopropyl-N-[(5-fluorothiophen-2-yl)methylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[(5-fluorothiophen-2-yl)methylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[(5-fluorothiophen-2-yl)methylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C3CC3)cc(C(=O)NN=Cc3ccc(F)s3)c12.
What is the InChIKey of 6-cyclopropyl-N-[(5-fluorothiophen-2-yl)methylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is WRGAPMZDIYEDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5OS/c1-9-15-12(17(24)21-19-8-11-5-6-14(18)25-11)7-13(10-3-4-10)20-16(15)23(2)22-9/h5-8,10H,3-4H2,1-2H3,(H,21,24).
What are the key properties of 6-cyclopropyl-N-[(5-fluorothiophen-2-yl)methylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-N-[(5-fluorothiophen-2-yl)methylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[(5-fluorothiophen-2-yl)methylideneamino]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 171130838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).