2-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C17H20N4O2 — CID 45232149

IUPAC2-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(C(=O)c3n[nH]c4ccccc34)C2)C1=O
InChIInChI=1S/C17H20N4O2/c1-20-9-4-7-17(16(20)23)8-10-21(11-17)15(22)14-12-5-2-3-6-13(12)18-19-14/h2-3,5-6H,4,7-11H2,1H3,(H,18,19)
InChIKeyVKSHHPDMZFBVNW-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.65
Rot. Bonds1

About 2-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

2-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45232149) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45232149
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(C(=O)c3n[nH]c4ccccc34)C2)C1=O
InChIInChI=1S/C17H20N4O2/c1-20-9-4-7-17(16(20)23)8-10-21(11-17)15(22)14-12-5-2-3-6-13(12)18-19-14/h2-3,5-6H,4,7-11H2,1H3,(H,18,19)
InChIKeyVKSHHPDMZFBVNW-UHFFFAOYSA-N
XLogP1.65
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-indazole-3-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102847847
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-indazol-3-yl)methanone
CID 135105462
[4-hydroxy-4-(trifluoromethyl)azepan-1-yl]-(1H-indazol-3-yl)methanone
CID 131963462
7-methyl-2-(2-morpholin-4-ylbenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72922576
[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone
CID 42290626
7-(1H-indazole-3-carbonyl)-2-methyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one
CID 170858728
6-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1H-pyrimidine-2,4-dione
CID 95218005
(5R)-7-methyl-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95201542
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 129484284
2-ethyl-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83059025
(5S)-7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 95221008

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 45232149) is 2-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one is CN1CCCC2(CCN(C(=O)c3n[nH]c4ccccc34)C2)C1=O.
What is the InChIKey of 2-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is VKSHHPDMZFBVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-20-9-4-7-17(16(20)23)8-10-21(11-17)15(22)14-12-5-2-3-6-13(12)18-19-14/h2-3,5-6H,4,7-11H2,1H3,(H,18,19).
What are the key properties of 2-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
2-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 312.37 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45232149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).