2-methyl-1-[4-(6-phenylpyridazin-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one

C22H28N4O2 — CID 131935603

IUPAC2-methyl-1-[4-(6-phenylpyridazin-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC2(CC1)CN(c1ccc(-c3ccccc3)nn1)CCO2
InChIInChI=1S/C22H28N4O2/c1-17(2)21(27)25-12-10-22(11-13-25)16-26(14-15-28-22)20-9-8-19(23-24-20)18-6-4-3-5-7-18/h3-9,17H,10-16H2,1-2H3
InChIKeyUSUWNPQBFIJTSW-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.00
Rot. Bonds3

About 2-methyl-1-[4-(6-phenylpyridazin-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one

2-methyl-1-[4-(6-phenylpyridazin-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one (PubChem CID 131935603) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-methyl-1-[4-(6-phenylpyridazin-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(6-phenylpyridazin-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
PubChem CID131935603
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-methyl-1-[4-(6-phenylpyridazin-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC2(CC1)CN(c1ccc(-c3ccccc3)nn1)CCO2
InChIInChI=1S/C22H28N4O2/c1-17(2)21(27)25-12-10-22(11-13-25)16-26(14-15-28-22)20-9-8-19(23-24-20)18-6-4-3-5-7-18/h3-9,17H,10-16H2,1-2H3
InChIKeyUSUWNPQBFIJTSW-UHFFFAOYSA-N
XLogP3.00
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(6-phenylpyridazin-3-yl)-6-oxa-2,9-diazaspiro[4.5]decan-9-yl]acetic acid
CID 146043716
4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-2-phenylmorpholine
CID 133379648
2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 42110640
furan-3-yl-[4-(6-methylpyridazin-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 131903877
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3S)-1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone
CID 51691251
2-phenoxy-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 121058263
2-methyl-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 108736910
1-[4-(6-methylpyrazin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-phenylpropan-1-one
CID 131891825
1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 116972743
2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid
CID 82167521
4'-[6-(4-fluorophenyl)pyridazin-3-yl]spiro[1,2-dihydroindene-3,2'-morpholine]
CID 133413446
2-phenoxy-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 52992436

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(6-phenylpyridazin-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(6-phenylpyridazin-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one (CID 131935603) is 2-methyl-1-[4-(6-phenylpyridazin-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(6-phenylpyridazin-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(6-phenylpyridazin-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one is CC(C)C(=O)N1CCC2(CC1)CN(c1ccc(-c3ccccc3)nn1)CCO2.
What is the InChIKey of 2-methyl-1-[4-(6-phenylpyridazin-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one?
The InChIKey is USUWNPQBFIJTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-17(2)21(27)25-12-10-22(11-13-25)16-26(14-15-28-22)20-9-8-19(23-24-20)18-6-4-3-5-7-18/h3-9,17H,10-16H2,1-2H3.
What are the key properties of 2-methyl-1-[4-(6-phenylpyridazin-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one?
2-methyl-1-[4-(6-phenylpyridazin-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one has a molecular weight of 380.49 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(6-phenylpyridazin-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one is sourced from PubChem (CID 131935603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).