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

C30H27N5O — CID 56645387

IUPAC4-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCc1nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn2c1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C30H27N5O/c1-19-28(22-8-10-23(11-9-22)29(31)36)35-26(33-19)18-25(20-6-3-2-4-7-20)27(34-35)21-12-14-24(15-13-21)30(32)16-5-17-30/h2-4,6-15,18H,5,16-17,32H2,1H3,(H2,31,36)
InChIKeyKLAGYYYQOYRLDV-UHFFFAOYSA-N
MW473.58 g/mol
LogP5.48
Rot. Bonds5

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

4-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzamide (PubChem CID 56645387) has the molecular formula C30H27N5O and a molecular weight of 473.58 g/mol. Its IUPAC name is 4-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzamide
PubChem CID56645387
Molecular FormulaC30H27N5O
Molecular Weight473.58 g/mol
Exact Mass473.22
IUPAC Name4-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCc1nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn2c1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C30H27N5O/c1-19-28(22-8-10-23(11-9-22)29(31)36)35-26(33-19)18-25(20-6-3-2-4-7-20)27(34-35)21-12-14-24(15-13-21)30(32)16-5-17-30/h2-4,6-15,18H,5,16-17,32H2,1H3,(H2,31,36)
InChIKeyKLAGYYYQOYRLDV-UHFFFAOYSA-N
XLogP5.48
TPSA99.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 70817911
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CID 126480574
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CID 44197008
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CID 4615292
CID 4615292
CID 455580
CID 455580
CID 455582
CID 455582
CID 16012514
CID 16012514
CID 15990278
CID 15990278
CID 15990289
CID 15990289
CID 24959046
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CID 24959409
CID 24959409

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzamide?
The IUPAC name of 4-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzamide (CID 56645387) is 4-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzamide?
The canonical SMILES for 4-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzamide is Cc1nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn2c1-c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzamide?
The InChIKey is KLAGYYYQOYRLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O/c1-19-28(22-8-10-23(11-9-22)29(31)36)35-26(33-19)18-25(20-6-3-2-4-7-20)27(34-35)21-12-14-24(15-13-21)30(32)16-5-17-30/h2-4,6-15,18H,5,16-17,32H2,1H3,(H2,31,36).
What are the key properties of 4-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzamide?
4-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzamide has a molecular weight of 473.58 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(1-aminocyclobutyl)phenyl]-2-methyl-7-phenylimidazo[1,2-b]pyridazin-3-yl]benzamide is sourced from PubChem (CID 56645387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).