3-fluoro-N-pyridin-3-yl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidine-3-carboxamide

C15H14FN7O — CID 163344503

IUPAC3-fluoro-N-pyridin-3-yl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccnc1)C1(F)CCN(c2ccc3nncn3n2)C1
InChIInChI=1S/C15H14FN7O/c16-15(14(24)19-11-2-1-6-17-8-11)5-7-22(9-15)13-4-3-12-20-18-10-23(12)21-13/h1-4,6,8,10H,5,7,9H2,(H,19,24)
InChIKeyQZVTYJSKWLHUOQ-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.08
Rot. Bonds3

About 3-fluoro-N-pyridin-3-yl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidine-3-carboxamide

3-fluoro-N-pyridin-3-yl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidine-3-carboxamide (PubChem CID 163344503) has the molecular formula C15H14FN7O and a molecular weight of 327.32 g/mol. Its IUPAC name is 3-fluoro-N-pyridin-3-yl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-pyridin-3-yl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidine-3-carboxamide
PubChem CID163344503
Molecular FormulaC15H14FN7O
Molecular Weight327.32 g/mol
Exact Mass327.12
IUPAC Name3-fluoro-N-pyridin-3-yl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1cccnc1)C1(F)CCN(c2ccc3nncn3n2)C1
InChIInChI=1S/C15H14FN7O/c16-15(14(24)19-11-2-1-6-17-8-11)5-7-22(9-15)13-4-3-12-20-18-10-23(12)21-13/h1-4,6,8,10H,5,7,9H2,(H,19,24)
InChIKeyQZVTYJSKWLHUOQ-UHFFFAOYSA-N
XLogP1.08
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-pyridin-3-yl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-fluoro-N-pyridin-3-yl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidine-3-carboxamide (CID 163344503) is 3-fluoro-N-pyridin-3-yl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-fluoro-N-pyridin-3-yl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-fluoro-N-pyridin-3-yl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidine-3-carboxamide is O=C(Nc1cccnc1)C1(F)CCN(c2ccc3nncn3n2)C1.
What is the InChIKey of 3-fluoro-N-pyridin-3-yl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidine-3-carboxamide?
The InChIKey is QZVTYJSKWLHUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN7O/c16-15(14(24)19-11-2-1-6-17-8-11)5-7-22(9-15)13-4-3-12-20-18-10-23(12)21-13/h1-4,6,8,10H,5,7,9H2,(H,19,24).
What are the key properties of 3-fluoro-N-pyridin-3-yl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidine-3-carboxamide?
3-fluoro-N-pyridin-3-yl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidine-3-carboxamide has a molecular weight of 327.32 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-pyridin-3-yl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 163344503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).