(E)-3-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]prop-2-enamide

C26H25N5O — CID 56645596

IUPAC(E)-3-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]prop-2-enamide
SMILESCc1nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn2c1/C=C/C(N)=O
InChIInChI=1S/C26H25N5O/c1-17-22(12-13-23(27)32)31-24(29-17)16-21(18-6-3-2-4-7-18)25(30-31)19-8-10-20(11-9-19)26(28)14-5-15-26/h2-4,6-13,16H,5,14-15,28H2,1H3,(H2,27,32)/b13-12+
InChIKeyQYLGZFIYBBKRBS-OUKQBFOZSA-N
MW423.52 g/mol
LogP4.21
Rot. Bonds5

About (E)-3-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]prop-2-enamide

(E)-3-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]prop-2-enamide (PubChem CID 56645596) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is (E)-3-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]prop-2-enamide
PubChem CID56645596
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC Name(E)-3-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]prop-2-enamide
SMILESCc1nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn2c1/C=C/C(N)=O
InChIInChI=1S/C26H25N5O/c1-17-22(12-13-23(27)32)31-24(29-17)16-21(18-6-3-2-4-7-18)25(30-31)19-8-10-20(11-9-19)26(28)14-5-15-26/h2-4,6-13,16H,5,14-15,28H2,1H3,(H2,27,32)/b13-12+
InChIKeyQYLGZFIYBBKRBS-OUKQBFOZSA-N
XLogP4.21
TPSA99.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]prop-2-enamide?
The IUPAC name of (E)-3-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]prop-2-enamide (CID 56645596) is (E)-3-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]prop-2-enamide?
The canonical SMILES for (E)-3-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]prop-2-enamide is Cc1nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn2c1/C=C/C(N)=O.
What is the InChIKey of (E)-3-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]prop-2-enamide?
The InChIKey is QYLGZFIYBBKRBS-OUKQBFOZSA-N. The full InChI is InChI=1S/C26H25N5O/c1-17-22(12-13-23(27)32)31-24(29-17)16-21(18-6-3-2-4-7-18)25(30-31)19-8-10-20(11-9-19)26(28)14-5-15-26/h2-4,6-13,16H,5,14-15,28H2,1H3,(H2,27,32)/b13-12+.
What are the key properties of (E)-3-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]prop-2-enamide?
(E)-3-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]prop-2-enamide has a molecular weight of 423.52 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]prop-2-enamide is sourced from PubChem (CID 56645596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).