3-[(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

C22H24FN7O — CID 73054783

IUPAC3-[(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCc1cc(Nc2cc(CN3CCOCC3)c3ncc(Cc4ccc(F)cc4)n3n2)n[nH]1
InChIInChI=1S/C22H24FN7O/c1-15-10-20(27-26-15)25-21-12-17(14-29-6-8-31-9-7-29)22-24-13-19(30(22)28-21)11-16-2-4-18(23)5-3-16/h2-5,10,12-13H,6-9,11,14H2,1H3,(H2,25,26,27,28)
InChIKeyVPGUASLFIWTBQJ-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.07
Rot. Bonds6

About 3-[(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

3-[(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 73054783) has the molecular formula C22H24FN7O and a molecular weight of 421.48 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID73054783
Molecular FormulaC22H24FN7O
Molecular Weight421.48 g/mol
Exact Mass421.20
IUPAC Name3-[(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCc1cc(Nc2cc(CN3CCOCC3)c3ncc(Cc4ccc(F)cc4)n3n2)n[nH]1
InChIInChI=1S/C22H24FN7O/c1-15-10-20(27-26-15)25-21-12-17(14-29-6-8-31-9-7-29)22-24-13-19(30(22)28-21)11-16-2-4-18(23)5-3-16/h2-5,10,12-13H,6-9,11,14H2,1H3,(H2,25,26,27,28)
InChIKeyVPGUASLFIWTBQJ-UHFFFAOYSA-N
XLogP3.07
TPSA83.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (CID 73054783) is 3-[(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is Cc1cc(Nc2cc(CN3CCOCC3)c3ncc(Cc4ccc(F)cc4)n3n2)n[nH]1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is VPGUASLFIWTBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O/c1-15-10-20(27-26-15)25-21-12-17(14-29-6-8-31-9-7-29)22-24-13-19(30(22)28-21)11-16-2-4-18(23)5-3-16/h2-5,10,12-13H,6-9,11,14H2,1H3,(H2,25,26,27,28).
What are the key properties of 3-[(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
3-[(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 421.48 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 73054783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).