4-[6-[4-(1-aminocyclobutyl)phenyl]-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide

C28H25N5O2S — CID 56644562

IUPAC4-[6-[4-(1-aminocyclobutyl)phenyl]-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide
SMILESNC1(c2ccc(-c3nn4c(-c5ccc(S(N)(=O)=O)cc5)cnc4cc3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C28H25N5O2S/c29-28(15-4-16-28)22-11-7-21(8-12-22)27-24(19-5-2-1-3-6-19)17-26-31-18-25(33(26)32-27)20-9-13-23(14-10-20)36(30,34)35/h1-3,5-14,17-18H,4,15-16,29H2,(H2,30,34,35)
InChIKeyUNKBPENPVJRYCT-UHFFFAOYSA-N
MW495.61 g/mol
LogP4.72
Rot. Bonds5

About 4-[6-[4-(1-aminocyclobutyl)phenyl]-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide

4-[6-[4-(1-aminocyclobutyl)phenyl]-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide (PubChem CID 56644562) has the molecular formula C28H25N5O2S and a molecular weight of 495.61 g/mol. Its IUPAC name is 4-[6-[4-(1-aminocyclobutyl)phenyl]-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[6-[4-(1-aminocyclobutyl)phenyl]-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide
PubChem CID56644562
Molecular FormulaC28H25N5O2S
Molecular Weight495.61 g/mol
Exact Mass495.17
IUPAC Name4-[6-[4-(1-aminocyclobutyl)phenyl]-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide
SMILESNC1(c2ccc(-c3nn4c(-c5ccc(S(N)(=O)=O)cc5)cnc4cc3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C28H25N5O2S/c29-28(15-4-16-28)22-11-7-21(8-12-22)27-24(19-5-2-1-3-6-19)17-26-31-18-25(33(26)32-27)20-9-13-23(14-10-20)36(30,34)35/h1-3,5-14,17-18H,4,15-16,29H2,(H2,30,34,35)
InChIKeyUNKBPENPVJRYCT-UHFFFAOYSA-N
XLogP4.72
TPSA116.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(1-aminocyclobutyl)phenyl]-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 4-[6-[4-(1-aminocyclobutyl)phenyl]-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide (CID 56644562) is 4-[6-[4-(1-aminocyclobutyl)phenyl]-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[6-[4-(1-aminocyclobutyl)phenyl]-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[6-[4-(1-aminocyclobutyl)phenyl]-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide is NC1(c2ccc(-c3nn4c(-c5ccc(S(N)(=O)=O)cc5)cnc4cc3-c3ccccc3)cc2)CCC1.
What is the InChIKey of 4-[6-[4-(1-aminocyclobutyl)phenyl]-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide?
The InChIKey is UNKBPENPVJRYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O2S/c29-28(15-4-16-28)22-11-7-21(8-12-22)27-24(19-5-2-1-3-6-19)17-26-31-18-25(33(26)32-27)20-9-13-23(14-10-20)36(30,34)35/h1-3,5-14,17-18H,4,15-16,29H2,(H2,30,34,35).
What are the key properties of 4-[6-[4-(1-aminocyclobutyl)phenyl]-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide?
4-[6-[4-(1-aminocyclobutyl)phenyl]-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide has a molecular weight of 495.61 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(1-aminocyclobutyl)phenyl]-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 56644562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).