N-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrimidin-5-amine

C15H16FN7 — CID 123305260

IUPACN-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrimidin-5-amine
SMILESFC1CCN(c2ccc3ncc(CNc4cncnc4)n3n2)C1
InChIInChI=1S/C15H16FN7/c16-11-3-4-22(9-11)15-2-1-14-20-8-13(23(14)21-15)7-19-12-5-17-10-18-6-12/h1-2,5-6,8,10-11,19H,3-4,7,9H2
InChIKeyUPZWGMIZLGFHBW-UHFFFAOYSA-N
MW313.34 g/mol
LogP1.68
Rot. Bonds4

About N-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrimidin-5-amine

N-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrimidin-5-amine (PubChem CID 123305260) has the molecular formula C15H16FN7 and a molecular weight of 313.34 g/mol. Its IUPAC name is N-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrimidin-5-amine
PubChem CID123305260
Molecular FormulaC15H16FN7
Molecular Weight313.34 g/mol
Exact Mass313.15
IUPAC NameN-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrimidin-5-amine
SMILESFC1CCN(c2ccc3ncc(CNc4cncnc4)n3n2)C1
InChIInChI=1S/C15H16FN7/c16-11-3-4-22(9-11)15-2-1-14-20-8-13(23(14)21-15)7-19-12-5-17-10-18-6-12/h1-2,5-6,8,10-11,19H,3-4,7,9H2
InChIKeyUPZWGMIZLGFHBW-UHFFFAOYSA-N
XLogP1.68
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
1-cyclohexyl-6H-pyrrolo[2,3-e][1,2,4]triazolo[4,3-a]pyrazine
CID 136013449
6-(1H-imidazol-1-yl)-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 713378
US9096589, 5,8-Dimethyl-2-[2-(1-methyl-4-pyrazin-2-yl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 67258236
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

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrimidin-5-amine?
The IUPAC name of N-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrimidin-5-amine (CID 123305260) is N-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrimidin-5-amine.
What is the SMILES notation for N-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrimidin-5-amine?
The canonical SMILES for N-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrimidin-5-amine is FC1CCN(c2ccc3ncc(CNc4cncnc4)n3n2)C1.
What is the InChIKey of N-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrimidin-5-amine?
The InChIKey is UPZWGMIZLGFHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN7/c16-11-3-4-22(9-11)15-2-1-14-20-8-13(23(14)21-15)7-19-12-5-17-10-18-6-12/h1-2,5-6,8,10-11,19H,3-4,7,9H2.
What are the key properties of N-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrimidin-5-amine?
N-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrimidin-5-amine has a molecular weight of 313.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrimidin-5-amine is sourced from PubChem (CID 123305260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).