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

C22H23F2N7O — CID 73055066

IUPAC3-[(2,4-difluorophenyl)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)cc4F)n3n2)n[nH]1
InChIInChI=1S/C22H23F2N7O/c1-14-8-20(28-27-14)26-21-10-16(13-30-4-6-32-7-5-30)22-25-12-18(31(22)29-21)9-15-2-3-17(23)11-19(15)24/h2-3,8,10-12H,4-7,9,13H2,1H3,(H2,26,27,28,29)
InChIKeyAMFRDQVHBQMORY-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.21
Rot. Bonds6

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

3-[(2,4-difluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 73055066) has the molecular formula C22H23F2N7O and a molecular weight of 439.47 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID73055066
Molecular FormulaC22H23F2N7O
Molecular Weight439.47 g/mol
Exact Mass439.19
IUPAC Name3-[(2,4-difluorophenyl)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)cc4F)n3n2)n[nH]1
InChIInChI=1S/C22H23F2N7O/c1-14-8-20(28-27-14)26-21-10-16(13-30-4-6-32-7-5-30)22-25-12-18(31(22)29-21)9-15-2-3-17(23)11-19(15)24/h2-3,8,10-12H,4-7,9,13H2,1H3,(H2,26,27,28,29)
InChIKeyAMFRDQVHBQMORY-UHFFFAOYSA-N
XLogP3.21
TPSA83.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[(2,4-difluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (CID 73055066) is 3-[(2,4-difluorophenyl)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-[(2,4-difluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[(2,4-difluorophenyl)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)cc4F)n3n2)n[nH]1.
What is the InChIKey of 3-[(2,4-difluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is AMFRDQVHBQMORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N7O/c1-14-8-20(28-27-14)26-21-10-16(13-30-4-6-32-7-5-30)22-25-12-18(31(22)29-21)9-15-2-3-17(23)11-19(15)24/h2-3,8,10-12H,4-7,9,13H2,1H3,(H2,26,27,28,29).
What are the key properties of 3-[(2,4-difluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
3-[(2,4-difluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 439.47 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 73055066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).