N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C22H22ClN5O2 — CID 122672262

IUPACN-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NC1CCC2(CC1)CCN(c1cccc(Cl)c1)C2=O)c1cnc2cccnn12
InChIInChI=1S/C22H22ClN5O2/c23-15-3-1-4-17(13-15)27-12-10-22(21(27)30)8-6-16(7-9-22)26-20(29)18-14-24-19-5-2-11-25-28(18)19/h1-5,11,13-14,16H,6-10,12H2,(H,26,29)
InChIKeyCSMWBFDSXBSAQL-UHFFFAOYSA-N
MW423.90 g/mol
LogP3.48
Rot. Bonds3

About N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]imidazo[1,2-b]pyridazine-3-carboxamide

N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 122672262) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID122672262
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC NameN-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(NC1CCC2(CC1)CCN(c1cccc(Cl)c1)C2=O)c1cnc2cccnn12
InChIInChI=1S/C22H22ClN5O2/c23-15-3-1-4-17(13-15)27-12-10-22(21(27)30)8-6-16(7-9-22)26-20(29)18-14-24-19-5-2-11-25-28(18)19/h1-5,11,13-14,16H,6-10,12H2,(H,26,29)
InChIKeyCSMWBFDSXBSAQL-UHFFFAOYSA-N
XLogP3.48
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
CID 122679344
N-[(5S,7S)-2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyrazine-2-carboxamide
CID 52911751
4-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-N-(2-methoxyethyl)-1H-imidazole-4,5-dicarboxamide
CID 134538538
N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide
CID 75951009
N-[1-[(4-fluoro-3-hydroxyphenyl)methyl]piperidin-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 175817458
N-[2-(2-chloro-4,6-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]quinoxaline-5-carboxamide
CID 134465621
(5R,7R)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one;(5S,7S)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
CID 159763896
2-(3-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074479
N-[(5R,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 58237396
8-azido-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
CID 122672568
1-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide
CID 122672440
(5R,7R)-7-acetyl-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
CID 58237139

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 122672262) is N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]imidazo[1,2-b]pyridazine-3-carboxamide is O=C(NC1CCC2(CC1)CCN(c1cccc(Cl)c1)C2=O)c1cnc2cccnn12.
What is the InChIKey of N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is CSMWBFDSXBSAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c23-15-3-1-4-17(13-15)27-12-10-22(21(27)30)8-6-16(7-9-22)26-20(29)18-14-24-19-5-2-11-25-28(18)19/h1-5,11,13-14,16H,6-10,12H2,(H,26,29).
What are the key properties of N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 423.90 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 122672262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).