3-[(dimethylamino)methyl]-8-(1H-indazole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one

C19H24N4O3 — CID 172664716

IUPAC3-[(dimethylamino)methyl]-8-(1H-indazole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
SMILESCN(C)CC1CC2(CCN(C(=O)c3n[nH]c4ccccc34)CC2)C(=O)O1
InChIInChI=1S/C19H24N4O3/c1-22(2)12-13-11-19(18(25)26-13)7-9-23(10-8-19)17(24)16-14-5-3-4-6-15(14)20-21-16/h3-6,13H,7-12H2,1-2H3,(H,20,21)
InChIKeyBXCYORKYOIXULT-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.66
Rot. Bonds3

About 3-[(dimethylamino)methyl]-8-(1H-indazole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one

3-[(dimethylamino)methyl]-8-(1H-indazole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one (PubChem CID 172664716) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-8-(1H-indazole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-8-(1H-indazole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
PubChem CID172664716
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name3-[(dimethylamino)methyl]-8-(1H-indazole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
SMILESCN(C)CC1CC2(CCN(C(=O)c3n[nH]c4ccccc34)CC2)C(=O)O1
InChIInChI=1S/C19H24N4O3/c1-22(2)12-13-11-19(18(25)26-13)7-9-23(10-8-19)17(24)16-14-5-3-4-6-15(14)20-21-16/h3-6,13H,7-12H2,1-2H3,(H,20,21)
InChIKeyBXCYORKYOIXULT-UHFFFAOYSA-N
XLogP1.66
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(dimethylamino)methyl]-8-(5-methyl-3-phenyl-1H-pyrazole-4-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172669525
3-[(dimethylamino)methyl]-8-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid
CID 172912848
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
3-[(dimethylamino)methyl]-8-(1-methyl-2-oxoquinoline-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid
CID 172910048
3-[(dimethylamino)methyl]-8-(2-methyl-1-benzofuran-7-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid
CID 172910356
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386
1H-indazol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91917964
7-[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]-4H-1,4-benzoxazin-3-one;formic acid
CID 172912347
2-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45232149
3-[(dimethylamino)methyl]-8-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-2-oxa-8-azaspiro[4.5]decan-1-one;formic acid
CID 172911380
1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 91918253
1H-indazol-3-yl-(4-phenylpiperidin-1-yl)methanone
CID 143724811

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-8-(1H-indazole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one?
The IUPAC name of 3-[(dimethylamino)methyl]-8-(1H-indazole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one (CID 172664716) is 3-[(dimethylamino)methyl]-8-(1H-indazole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-[(dimethylamino)methyl]-8-(1H-indazole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one?
The canonical SMILES for 3-[(dimethylamino)methyl]-8-(1H-indazole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one is CN(C)CC1CC2(CCN(C(=O)c3n[nH]c4ccccc34)CC2)C(=O)O1.
What is the InChIKey of 3-[(dimethylamino)methyl]-8-(1H-indazole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one?
The InChIKey is BXCYORKYOIXULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-22(2)12-13-11-19(18(25)26-13)7-9-23(10-8-19)17(24)16-14-5-3-4-6-15(14)20-21-16/h3-6,13H,7-12H2,1-2H3,(H,20,21).
What are the key properties of 3-[(dimethylamino)methyl]-8-(1H-indazole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one?
3-[(dimethylamino)methyl]-8-(1H-indazole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one has a molecular weight of 356.43 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-8-(1H-indazole-3-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 172664716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).