4-amino-6-(5-fluoro-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide

C13H10FN5O — CID 122500204

IUPAC4-amino-6-(5-fluoro-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnn2cc(-c3cncc(F)c3)cc2c1N
InChIInChI=1S/C13H10FN5O/c14-9-1-7(3-17-4-9)8-2-11-12(15)10(13(16)20)5-18-19(11)6-8/h1-6H,15H2,(H2,16,20)
InChIKeyJARXTHLFUJDRNZ-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.22
Rot. Bonds2

About 4-amino-6-(5-fluoro-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide

4-amino-6-(5-fluoro-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 122500204) has the molecular formula C13H10FN5O and a molecular weight of 271.26 g/mol. Its IUPAC name is 4-amino-6-(5-fluoro-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-amino-6-(5-fluoro-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID122500204
Molecular FormulaC13H10FN5O
Molecular Weight271.26 g/mol
Exact Mass271.09
IUPAC Name4-amino-6-(5-fluoro-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnn2cc(-c3cncc(F)c3)cc2c1N
InChIInChI=1S/C13H10FN5O/c14-9-1-7(3-17-4-9)8-2-11-12(15)10(13(16)20)5-18-19(11)6-8/h1-6H,15H2,(H2,16,20)
InChIKeyJARXTHLFUJDRNZ-UHFFFAOYSA-N
XLogP1.22
TPSA99.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(5-fluoro-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-amino-6-(5-fluoro-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 122500204) is 4-amino-6-(5-fluoro-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-amino-6-(5-fluoro-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-amino-6-(5-fluoro-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnn2cc(-c3cncc(F)c3)cc2c1N.
What is the InChIKey of 4-amino-6-(5-fluoro-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is JARXTHLFUJDRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5O/c14-9-1-7(3-17-4-9)8-2-11-12(15)10(13(16)20)5-18-19(11)6-8/h1-6H,15H2,(H2,16,20).
What are the key properties of 4-amino-6-(5-fluoro-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-amino-6-(5-fluoro-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 271.26 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(5-fluoro-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 122500204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).