N-[1-[4-(8-oxo-3-phenyl-5H-imidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]acetamide

C24H22N4O2 — CID 118439098

IUPACN-[1-[4-(8-oxo-3-phenyl-5H-imidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]acetamide
SMILESCC(=O)NC1(c2ccc(-c3nc4c(=O)cc[nH]n4c3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C24H22N4O2/c1-16(29)27-24(13-5-14-24)19-10-8-17(9-11-19)21-22(18-6-3-2-4-7-18)28-23(26-21)20(30)12-15-25-28/h2-4,6-12,15,25H,5,13-14H2,1H3,(H,27,29)
InChIKeyBEGUNSHULOZWPO-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.87
Rot. Bonds4

About N-[1-[4-(8-oxo-3-phenyl-5H-imidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]acetamide

N-[1-[4-(8-oxo-3-phenyl-5H-imidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]acetamide (PubChem CID 118439098) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[1-[4-(8-oxo-3-phenyl-5H-imidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(8-oxo-3-phenyl-5H-imidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]acetamide
PubChem CID118439098
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[1-[4-(8-oxo-3-phenyl-5H-imidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]acetamide
SMILESCC(=O)NC1(c2ccc(-c3nc4c(=O)cc[nH]n4c3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C24H22N4O2/c1-16(29)27-24(13-5-14-24)19-10-8-17(9-11-19)21-22(18-6-3-2-4-7-18)28-23(26-21)20(30)12-15-25-28/h2-4,6-12,15,25H,5,13-14H2,1H3,(H,27,29)
InChIKeyBEGUNSHULOZWPO-UHFFFAOYSA-N
XLogP3.87
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[4-(6-carbamoyl-8-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]carbamic acid
CID 70817997
[1-[4-[6-chloro-3-phenyl-8-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-yl]phenyl]cyclobutyl]carbamic acid
CID 118431099
tert-butyl N-[1-[4-(6-bromo-8-methoxy-3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]carbamate
CID 86716498
tert-butyl N-[1-[4-(7-methoxy-3-phenylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclobutyl]carbamate
CID 66665421
tert-butyl N-[1-[4-[3-phenyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]phenyl]cyclobutyl]carbamate
CID 66665600
N-[1-(4-fluorophenyl)cyclopentyl]acetamide
CID 71936960
tert-butyl N-[1-[4-[6-chloro-3-phenyl-8-(2H-pyrrol-5-yl)imidazo[1,2-b]pyridazin-2-yl]phenyl]cyclobutyl]carbamate
CID 161025126
[1-[4-(3-bromo-2,6-diphenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutyl]carbamic acid
CID 66718791
2,2-dimethylpropyl N-[1-[4-(3-phenylimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]carbamate
CID 123495262
tert-butyl N-[1-[4-(7-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate
CID 66665545
methyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]phenyl]-3-phenylimidazo[1,2-a]pyridine-6-carboxylate
CID 66665070
tert-butyl N-[1-[4-(3-phenyl-7-pyrazol-1-ylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclobutyl]carbamate
CID 66665928

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(8-oxo-3-phenyl-5H-imidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]acetamide?
The IUPAC name of N-[1-[4-(8-oxo-3-phenyl-5H-imidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]acetamide (CID 118439098) is N-[1-[4-(8-oxo-3-phenyl-5H-imidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]acetamide.
What is the SMILES notation for N-[1-[4-(8-oxo-3-phenyl-5H-imidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]acetamide?
The canonical SMILES for N-[1-[4-(8-oxo-3-phenyl-5H-imidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]acetamide is CC(=O)NC1(c2ccc(-c3nc4c(=O)cc[nH]n4c3-c3ccccc3)cc2)CCC1.
What is the InChIKey of N-[1-[4-(8-oxo-3-phenyl-5H-imidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]acetamide?
The InChIKey is BEGUNSHULOZWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-16(29)27-24(13-5-14-24)19-10-8-17(9-11-19)21-22(18-6-3-2-4-7-18)28-23(26-21)20(30)12-15-25-28/h2-4,6-12,15,25H,5,13-14H2,1H3,(H,27,29).
What are the key properties of N-[1-[4-(8-oxo-3-phenyl-5H-imidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]acetamide?
N-[1-[4-(8-oxo-3-phenyl-5H-imidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]acetamide has a molecular weight of 398.47 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(8-oxo-3-phenyl-5H-imidazo[1,2-b]pyridazin-2-yl)phenyl]cyclobutyl]acetamide is sourced from PubChem (CID 118439098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).