3-[4-(4-amino-4-methyl-2-methylidenepyrrolidin-1-yl)phenyl]-N-[(3-fluorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine

C26H27FN6 — CID 130348401

IUPAC3-[4-(4-amino-4-methyl-2-methylidenepyrrolidin-1-yl)phenyl]-N-[(3-fluorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine
SMILESC=C1CC(C)(N)CN1c1ccc(-c2cnc3ccc(N(C)Cc4cccc(F)c4)nn23)cc1
InChIInChI=1S/C26H27FN6/c1-18-14-26(2,28)17-32(18)22-9-7-20(8-10-22)23-15-29-24-11-12-25(30-33(23)24)31(3)16-19-5-4-6-21(27)13-19/h4-13,15H,1,14,16-17,28H2,2-3H3
InChIKeyBTWYQLZYPXSNDX-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.61
Rot. Bonds5

About 3-[4-(4-amino-4-methyl-2-methylidenepyrrolidin-1-yl)phenyl]-N-[(3-fluorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine

3-[4-(4-amino-4-methyl-2-methylidenepyrrolidin-1-yl)phenyl]-N-[(3-fluorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 130348401) has the molecular formula C26H27FN6 and a molecular weight of 442.54 g/mol. Its IUPAC name is 3-[4-(4-amino-4-methyl-2-methylidenepyrrolidin-1-yl)phenyl]-N-[(3-fluorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[4-(4-amino-4-methyl-2-methylidenepyrrolidin-1-yl)phenyl]-N-[(3-fluorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine
PubChem CID130348401
Molecular FormulaC26H27FN6
Molecular Weight442.54 g/mol
Exact Mass442.23
IUPAC Name3-[4-(4-amino-4-methyl-2-methylidenepyrrolidin-1-yl)phenyl]-N-[(3-fluorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine
SMILESC=C1CC(C)(N)CN1c1ccc(-c2cnc3ccc(N(C)Cc4cccc(F)c4)nn23)cc1
InChIInChI=1S/C26H27FN6/c1-18-14-26(2,28)17-32(18)22-9-7-20(8-10-22)23-15-29-24-11-12-25(30-33(23)24)31(3)16-19-5-4-6-21(27)13-19/h4-13,15H,1,14,16-17,28H2,2-3H3
InChIKeyBTWYQLZYPXSNDX-UHFFFAOYSA-N
XLogP4.61
TPSA62.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-amino-4-methyl-2-methylidenepyrrolidin-1-yl)phenyl]-N-[(3-fluorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[4-(4-amino-4-methyl-2-methylidenepyrrolidin-1-yl)phenyl]-N-[(3-fluorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine (CID 130348401) is 3-[4-(4-amino-4-methyl-2-methylidenepyrrolidin-1-yl)phenyl]-N-[(3-fluorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[4-(4-amino-4-methyl-2-methylidenepyrrolidin-1-yl)phenyl]-N-[(3-fluorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[4-(4-amino-4-methyl-2-methylidenepyrrolidin-1-yl)phenyl]-N-[(3-fluorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine is C=C1CC(C)(N)CN1c1ccc(-c2cnc3ccc(N(C)Cc4cccc(F)c4)nn23)cc1.
What is the InChIKey of 3-[4-(4-amino-4-methyl-2-methylidenepyrrolidin-1-yl)phenyl]-N-[(3-fluorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is BTWYQLZYPXSNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6/c1-18-14-26(2,28)17-32(18)22-9-7-20(8-10-22)23-15-29-24-11-12-25(30-33(23)24)31(3)16-19-5-4-6-21(27)13-19/h4-13,15H,1,14,16-17,28H2,2-3H3.
What are the key properties of 3-[4-(4-amino-4-methyl-2-methylidenepyrrolidin-1-yl)phenyl]-N-[(3-fluorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine?
3-[4-(4-amino-4-methyl-2-methylidenepyrrolidin-1-yl)phenyl]-N-[(3-fluorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 442.54 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-amino-4-methyl-2-methylidenepyrrolidin-1-yl)phenyl]-N-[(3-fluorophenyl)methyl]-N-methylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 130348401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).