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

C11H12FN5O — CID 126708950

IUPAC6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(N3CC[C@H](F)C3)nn12
InChIInChI=1S/C11H12FN5O/c12-7-3-4-16(6-7)10-2-1-9-14-5-8(11(13)18)17(9)15-10/h1-2,5,7H,3-4,6H2,(H2,13,18)/t7-/m0/s1
InChIKeyNIPNZEIQNMEOJB-ZETCQYMHSA-N
MW249.25 g/mol
LogP0.38
Rot. Bonds2

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

6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 126708950) has the molecular formula C11H12FN5O and a molecular weight of 249.25 g/mol. Its IUPAC name is 6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID126708950
Molecular FormulaC11H12FN5O
Molecular Weight249.25 g/mol
Exact Mass249.10
IUPAC Name6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(N3CC[C@H](F)C3)nn12
InChIInChI=1S/C11H12FN5O/c12-7-3-4-16(6-7)10-2-1-9-14-5-8(11(13)18)17(9)15-10/h1-2,5,7H,3-4,6H2,(H2,13,18)/t7-/m0/s1
InChIKeyNIPNZEIQNMEOJB-ZETCQYMHSA-N
XLogP0.38
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-fluoropiperidin-1-yl)-N-(5-fluoro-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 123772945
6-[(4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 66694368
[6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-(pyrimidin-5-ylamino)methanol
CID 126708947
1-(3-iodoimidazo[1,2-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid
CID 175313249
6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 56941872
N-(5-fluoro-2-pyridinyl)-6-(3-methoxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 123164219
3-fluorobenzenethiol;6-(3-fluoropyrrolidin-1-yl)-N-[1-[(3-hydroxyphenyl)methyl]azetidin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 156808317
N-methyl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 146415960
7-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 118661369
6-(3-hydroxypyrrolidin-1-yl)-N-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)pyridazine-3-carboxamide
CID 146669783
6-[5-(3-chloro-4-fluorophenyl)-3-cyclobutyloxyimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 146401628
6-(3-fluoropyrrolidin-1-yl)pyridine-3-carbaldehyde
CID 165460442

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 126708950) is 6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide is NC(=O)c1cnc2ccc(N3CC[C@H](F)C3)nn12.
What is the InChIKey of 6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is NIPNZEIQNMEOJB-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12FN5O/c12-7-3-4-16(6-7)10-2-1-9-14-5-8(11(13)18)17(9)15-10/h1-2,5,7H,3-4,6H2,(H2,13,18)/t7-/m0/s1.
What are the key properties of 6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 249.25 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 126708950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).