1-[10,10-difluoro-2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-2-(dimethylamino)ethanone

C17H25F2N5O — CID 134077898

IUPAC1-[10,10-difluoro-2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-2-(dimethylamino)ethanone
SMILESCc1ccc(N2CCC3(CN(C(=O)CN(C)C)CCC3(F)F)C2)nn1
InChIInChI=1S/C17H25F2N5O/c1-13-4-5-14(21-20-13)23-8-6-16(11-23)12-24(9-7-17(16,18)19)15(25)10-22(2)3/h4-5H,6-12H2,1-3H3
InChIKeyQDCJMIHKYGDYDB-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.41
Rot. Bonds3

About 1-[10,10-difluoro-2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-2-(dimethylamino)ethanone

1-[10,10-difluoro-2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-2-(dimethylamino)ethanone (PubChem CID 134077898) has the molecular formula C17H25F2N5O and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[10,10-difluoro-2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-[10,10-difluoro-2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-2-(dimethylamino)ethanone
PubChem CID134077898
Molecular FormulaC17H25F2N5O
Molecular Weight353.42 g/mol
Exact Mass353.20
IUPAC Name1-[10,10-difluoro-2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-2-(dimethylamino)ethanone
SMILESCc1ccc(N2CCC3(CN(C(=O)CN(C)C)CCC3(F)F)C2)nn1
InChIInChI=1S/C17H25F2N5O/c1-13-4-5-14(21-20-13)23-8-6-16(11-23)12-24(9-7-17(16,18)19)15(25)10-22(2)3/h4-5H,6-12H2,1-3H3
InChIKeyQDCJMIHKYGDYDB-UHFFFAOYSA-N
XLogP1.41
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 110727422
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CID 131663457
7-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 159999194
(2S)-N,N,2-trimethyl-4-(6-methylpyridazin-3-yl)morpholine-2-carboxamide
CID 95841028
(3S)-3-[(2-methylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxylic acid
CID 95549718
2-[[(4aS,8aR)-6-(6-methylpyridazin-3-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 98810648
2-[[(4aR,8aS)-6-(6-methylpyridazin-3-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]-N,N-dimethylacetamide
CID 97363771
7-[2-(dimethylamino)acetyl]-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131642608
N-[(3S)-3-methyl-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 159018139
(5-chlorothiophen-2-yl)-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341264
[4-(dimethylamino)phenyl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110744372
furan-3-yl-[4-(6-methylpyridazin-3-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 131903877

Frequently Asked Questions

What is the IUPAC name of 1-[10,10-difluoro-2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-2-(dimethylamino)ethanone?
The IUPAC name of 1-[10,10-difluoro-2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-2-(dimethylamino)ethanone (CID 134077898) is 1-[10,10-difluoro-2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-[10,10-difluoro-2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-2-(dimethylamino)ethanone?
The canonical SMILES for 1-[10,10-difluoro-2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-2-(dimethylamino)ethanone is Cc1ccc(N2CCC3(CN(C(=O)CN(C)C)CCC3(F)F)C2)nn1.
What is the InChIKey of 1-[10,10-difluoro-2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-2-(dimethylamino)ethanone?
The InChIKey is QDCJMIHKYGDYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N5O/c1-13-4-5-14(21-20-13)23-8-6-16(11-23)12-24(9-7-17(16,18)19)15(25)10-22(2)3/h4-5H,6-12H2,1-3H3.
What are the key properties of 1-[10,10-difluoro-2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-2-(dimethylamino)ethanone?
1-[10,10-difluoro-2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-2-(dimethylamino)ethanone has a molecular weight of 353.42 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10,10-difluoro-2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-2-(dimethylamino)ethanone is sourced from PubChem (CID 134077898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).