N-(5-fluoro-2-pyridinyl)-6-(3-methoxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide

C17H17FN6O2 — CID 123164219

IUPACN-(5-fluoro-2-pyridinyl)-6-(3-methoxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOC1CCN(c2ccc3ncc(C(=O)Nc4ccc(F)cn4)n3n2)C1
InChIInChI=1S/C17H17FN6O2/c1-26-12-6-7-23(10-12)16-5-4-15-20-9-13(24(15)22-16)17(25)21-14-3-2-11(18)8-19-14/h2-5,8-9,12H,6-7,10H2,1H3,(H,19,21,25)
InChIKeyIWFMZULDNLEGHP-UHFFFAOYSA-N
MW356.36 g/mol
LogP1.74
Rot. Bonds4

About N-(5-fluoro-2-pyridinyl)-6-(3-methoxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide

N-(5-fluoro-2-pyridinyl)-6-(3-methoxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 123164219) has the molecular formula C17H17FN6O2 and a molecular weight of 356.36 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-6-(3-methoxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-6-(3-methoxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID123164219
Molecular FormulaC17H17FN6O2
Molecular Weight356.36 g/mol
Exact Mass356.14
IUPAC NameN-(5-fluoro-2-pyridinyl)-6-(3-methoxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOC1CCN(c2ccc3ncc(C(=O)Nc4ccc(F)cn4)n3n2)C1
InChIInChI=1S/C17H17FN6O2/c1-26-12-6-7-23(10-12)16-5-4-15-20-9-13(24(15)22-16)17(25)21-14-3-2-11(18)8-19-14/h2-5,8-9,12H,6-7,10H2,1H3,(H,19,21,25)
InChIKeyIWFMZULDNLEGHP-UHFFFAOYSA-N
XLogP1.74
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(3,3-dimethylazetidin-1-yl)-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 135201828
6-[(3S)-3-fluoropyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 126708950
N-methyl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 146415960
N-ethyl-6-[(3S)-3-[(1-methyl-2-oxopyridine-3-carbonyl)amino]pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide;fluorobenzene
CID 144738717
N-(3-fluoro-4-(111C)methoxyphenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 166720707
N-(5-fluoro-3-pyridinyl)-6-(2-methylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 123594424
N-(2,2-difluoroethyl)-6-[(3S)-3-[(4-methyl-5-prop-1-en-2-ylpyridine-2-carbonyl)amino]pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide;fluorobenzene
CID 144738699
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(2-methylpropan-2-yl)oxy]imidazo[1,2-b]pyridazine-3-carboxamide
CID 87106081
1-cyclopentyl-2,3-dimethyl-N-[(3S)-1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-5-oxopyrazole-4-carboxamide;ethane;fluorobenzene
CID 144738702
6-(1,3-dihydroisoindol-2-yl)-N-phenylimidazo[1,2-b]pyridazine-3-carboxamide
CID 66940711
(3S)-N-(5-fluoro-2-pyridinyl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
CID 99598686

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-6-(3-methoxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-6-(3-methoxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 123164219) is N-(5-fluoro-2-pyridinyl)-6-(3-methoxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-6-(3-methoxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-6-(3-methoxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide is COC1CCN(c2ccc3ncc(C(=O)Nc4ccc(F)cn4)n3n2)C1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-6-(3-methoxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is IWFMZULDNLEGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O2/c1-26-12-6-7-23(10-12)16-5-4-15-20-9-13(24(15)22-16)17(25)21-14-3-2-11(18)8-19-14/h2-5,8-9,12H,6-7,10H2,1H3,(H,19,21,25).
What are the key properties of N-(5-fluoro-2-pyridinyl)-6-(3-methoxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
N-(5-fluoro-2-pyridinyl)-6-(3-methoxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 356.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-6-(3-methoxypyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 123164219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).