8-(5-methoxy-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

C17H20N4O3 — CID 70752123

IUPAC8-(5-methoxy-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOc1ccc2[nH]nc(C(=O)N3CCC4(CC3)CNC(=O)C4)c2c1
InChIInChI=1S/C17H20N4O3/c1-24-11-2-3-13-12(8-11)15(20-19-13)16(23)21-6-4-17(5-7-21)9-14(22)18-10-17/h2-3,8H,4-7,9-10H2,1H3,(H,18,22)(H,19,20)
InChIKeyBMNXQFSUMUYIHU-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.31
Rot. Bonds2

About 8-(5-methoxy-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

8-(5-methoxy-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70752123) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 8-(5-methoxy-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(5-methoxy-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70752123
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name8-(5-methoxy-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOc1ccc2[nH]nc(C(=O)N3CCC4(CC3)CNC(=O)C4)c2c1
InChIInChI=1S/C17H20N4O3/c1-24-11-2-3-13-12(8-11)15(20-19-13)16(23)21-6-4-17(5-7-21)9-14(22)18-10-17/h2-3,8H,4-7,9-10H2,1H3,(H,18,22)(H,19,20)
InChIKeyBMNXQFSUMUYIHU-UHFFFAOYSA-N
XLogP1.31
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-(3-fluoro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 50969847
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methoxy-1H-indazol-3-yl)methanone
CID 95711696
2-[4-(5-methoxy-1H-indazole-3-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 166265290
(4aS,8aR)-6-(5-methoxy-1H-indazole-3-carbonyl)-1-[2-(methylamino)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 70736289
8-(2-bromopyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103755680
[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 78868617
[9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 45197321
8-(2-oxo-1H-pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103766120
8-(2,3-dihydroxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 114344968
8-[3-(2-aminoethoxy)-4-methoxybenzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 119063300
(5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone
CID 54944522
2,5-diazabicyclo[2.2.2]octan-2-yl-(5-methoxy-1H-indazol-3-yl)methanone;hydrochloride
CID 11738804

Frequently Asked Questions

What is the IUPAC name of 8-(5-methoxy-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(5-methoxy-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CID 70752123) is 8-(5-methoxy-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(5-methoxy-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(5-methoxy-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is COc1ccc2[nH]nc(C(=O)N3CCC4(CC3)CNC(=O)C4)c2c1.
What is the InChIKey of 8-(5-methoxy-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is BMNXQFSUMUYIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-24-11-2-3-13-12(8-11)15(20-19-13)16(23)21-6-4-17(5-7-21)9-14(22)18-10-17/h2-3,8H,4-7,9-10H2,1H3,(H,18,22)(H,19,20).
What are the key properties of 8-(5-methoxy-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(5-methoxy-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 328.37 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methoxy-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70752123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).