6-[(2S,4S)-4-fluoro-2-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C12H14FN5O — CID 166676603

IUPAC6-[(2S,4S)-4-fluoro-2-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESC[C@H]1C[C@H](F)CN1c1ccc2ncc(C(N)=O)n2n1
InChIInChI=1S/C12H14FN5O/c1-7-4-8(13)6-17(7)11-3-2-10-15-5-9(12(14)19)18(10)16-11/h2-3,5,7-8H,4,6H2,1H3,(H2,14,19)/t7-,8-/m0/s1
InChIKeyZOUQWOBEXRIOSR-YUMQZZPRSA-N
MW263.28 g/mol
LogP0.76
Rot. Bonds2

About 6-[(2S,4S)-4-fluoro-2-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide

6-[(2S,4S)-4-fluoro-2-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 166676603) has the molecular formula C12H14FN5O and a molecular weight of 263.28 g/mol. Its IUPAC name is 6-[(2S,4S)-4-fluoro-2-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(2S,4S)-4-fluoro-2-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID166676603
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC Name6-[(2S,4S)-4-fluoro-2-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESC[C@H]1C[C@H](F)CN1c1ccc2ncc(C(N)=O)n2n1
InChIInChI=1S/C12H14FN5O/c1-7-4-8(13)6-17(7)11-3-2-10-15-5-9(12(14)19)18(10)16-11/h2-3,5,7-8H,4,6H2,1H3,(H2,14,19)/t7-,8-/m0/s1
InChIKeyZOUQWOBEXRIOSR-YUMQZZPRSA-N
XLogP0.76
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S,4S)-4-fluoro-2-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[(2S,4S)-4-fluoro-2-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 166676603) is 6-[(2S,4S)-4-fluoro-2-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(2S,4S)-4-fluoro-2-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(2S,4S)-4-fluoro-2-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide is C[C@H]1C[C@H](F)CN1c1ccc2ncc(C(N)=O)n2n1.
What is the InChIKey of 6-[(2S,4S)-4-fluoro-2-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is ZOUQWOBEXRIOSR-YUMQZZPRSA-N. The full InChI is InChI=1S/C12H14FN5O/c1-7-4-8(13)6-17(7)11-3-2-10-15-5-9(12(14)19)18(10)16-11/h2-3,5,7-8H,4,6H2,1H3,(H2,14,19)/t7-,8-/m0/s1.
What are the key properties of 6-[(2S,4S)-4-fluoro-2-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[(2S,4S)-4-fluoro-2-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 263.28 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,4S)-4-fluoro-2-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 166676603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).