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

C24H23N5O — CID 70818128

IUPACN-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2n1
InChIInChI=1S/C24H23N5O/c1-16(30)26-20-12-13-21-27-22(23(29(21)28-20)18-6-3-2-4-7-18)17-8-10-19(11-9-17)24(25)14-5-15-24/h2-4,6-13H,5,14-15,25H2,1H3,(H,26,28,30)
InChIKeySRWUIFSGXXWMJC-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.36
Rot. Bonds4

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

N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]acetamide (PubChem CID 70818128) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]acetamide
PubChem CID70818128
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2n1
InChIInChI=1S/C24H23N5O/c1-16(30)26-20-12-13-21-27-22(23(29(21)28-20)18-6-3-2-4-7-18)17-8-10-19(11-9-17)24(25)14-5-15-24/h2-4,6-13H,5,14-15,25H2,1H3,(H,26,28,30)
InChIKeySRWUIFSGXXWMJC-UHFFFAOYSA-N
XLogP4.36
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]acetamide?
The IUPAC name of N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]acetamide (CID 70818128) is N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]acetamide.
What is the SMILES notation for N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]acetamide?
The canonical SMILES for N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]acetamide is CC(=O)Nc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2n1.
What is the InChIKey of N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]acetamide?
The InChIKey is SRWUIFSGXXWMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-16(30)26-20-12-13-21-27-22(23(29(21)28-20)18-6-3-2-4-7-18)17-8-10-19(11-9-17)24(25)14-5-15-24/h2-4,6-13H,5,14-15,25H2,1H3,(H,26,28,30).
What are the key properties of N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]acetamide?
N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]acetamide is sourced from PubChem (CID 70818128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).