N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine

C14H14FN7 — CID 58303465

IUPACN-[(3R,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine
SMILESF[C@@H]1CNC[C@H]1Nc1cncc(-c2cnc3cccnn23)n1
InChIInChI=1S/C14H14FN7/c15-9-4-16-5-10(9)20-13-8-17-6-11(21-13)12-7-18-14-2-1-3-19-22(12)14/h1-3,6-10,16H,4-5H2,(H,20,21)/t9-,10-/m1/s1
InChIKeyADGTWFYFFSFMNO-NXEZZACHSA-N
MW299.31 g/mol
LogP0.91
Rot. Bonds3

About N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine

N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine (PubChem CID 58303465) has the molecular formula C14H14FN7 and a molecular weight of 299.31 g/mol. Its IUPAC name is N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine.

Molecular Properties

Compound NameN-[(3R,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine
PubChem CID58303465
Molecular FormulaC14H14FN7
Molecular Weight299.31 g/mol
Exact Mass299.13
IUPAC NameN-[(3R,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine
SMILESF[C@@H]1CNC[C@H]1Nc1cncc(-c2cnc3cccnn23)n1
InChIInChI=1S/C14H14FN7/c15-9-4-16-5-10(9)20-13-8-17-6-11(21-13)12-7-18-14-2-1-3-19-22(12)14/h1-3,6-10,16H,4-5H2,(H,20,21)/t9-,10-/m1/s1
InChIKeyADGTWFYFFSFMNO-NXEZZACHSA-N
XLogP0.91
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(1H-imidazol-1-yl)-3-(pentafluoroethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 1521583
3-[2-(isopentylamino)pyrimidin-5-yl]-N-(1-methyl-4-piperidyl)imidazo[1,2-b]pyridazin-6-amine
CID 53357693
N4-[3-[2-(isopentylamino)pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine
CID 53357829
N4-[3-[2-[(1-methylpyrazol-3-yl)methylamino]pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine
CID 60202664
N-(1-methylpiperidin-4-yl)-3-(1-pyrazin-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 66549112
5-(1-Methylpyrazol-4-yl)-3-(pyrazolo[1,5-a]pyrimidin-5-ylmethyl)triazolo[4,5-b]pyrazine
CID 68288074
6-(1H-imidazol-1-yl)-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 713378
N-(1-methylpiperidin-4-yl)-3-(1-pyrimidin-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 72375344
3-[1-(5-fluoropyrimidin-2-yl)pyrazol-4-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 72375440
N-(1-methylpiperidin-4-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-6-amine
CID 73346435
N-(1-methylpiperidin-4-yl)-3-(1-propan-2-ylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 73353993
2-chloro-9-propan-2-yl-N-pyridazin-4-ylpurin-6-amine
CID 71517684

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine?
The IUPAC name of N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine (CID 58303465) is N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine.
What is the SMILES notation for N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine?
The canonical SMILES for N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine is F[C@@H]1CNC[C@H]1Nc1cncc(-c2cnc3cccnn23)n1.
What is the InChIKey of N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine?
The InChIKey is ADGTWFYFFSFMNO-NXEZZACHSA-N. The full InChI is InChI=1S/C14H14FN7/c15-9-4-16-5-10(9)20-13-8-17-6-11(21-13)12-7-18-14-2-1-3-19-22(12)14/h1-3,6-10,16H,4-5H2,(H,20,21)/t9-,10-/m1/s1.
What are the key properties of N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine?
N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine has a molecular weight of 299.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-fluoropyrrolidin-3-yl]-6-imidazo[1,2-b]pyridazin-3-ylpyrazin-2-amine is sourced from PubChem (CID 58303465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).