(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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Related Compounds

[4-[6-[4-(1-aminocyclobutyl)phenyl]-7-phenylimidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 56644560
tert-butyl N-[1-[4-[3-(3-amino-3-oxoprop-1-enyl)-7-phenylimidazo[1,2-b]pyridazin-6-yl]phenyl]cyclobutyl]carbamate
CID 66715998
1-[4-(1-methyl-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine
CID 44548388
7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridine-1-carboxamide
CID 44549015
tert-butyl N-[1-[4-(3-methyl-7-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]cyclobutyl]carbamate
CID 86692117
6-[4-(1-aminocyclobutyl)phenyl]-1-(2-oxopropyl)-7-phenylpyrido[2,3-b][1,4]oxazin-2-one
CID 53261991
1-[4-(3,12-diphenyl-8-oxa-2,4,5,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-11-yl)phenyl]cyclobutan-1-amine
CID 53261684
1-[4-[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]ethanone;dihydrochloride
CID 173038104
6-[4-(1-aminocyclobutyl)phenyl]-2-(aminomethyl)-5-phenylpyridin-3-amine
CID 174663749
2-[8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-4-ium-1-yl]propan-2-ol
CID 90858156
1-[4-(2,6-diphenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutan-1-amine
CID 46927245
methyl 3-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylpyrimido[1,2-b]indazol-9-yl]benzoate
CID 57378201

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).