3-(2-indazol-2-ylacetyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one

C19H25N5O2 — CID 56746464

IUPAC3-(2-indazol-2-ylacetyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
SMILESCN1CCCNC(=O)C12CCN(C(=O)Cn1cc3ccccc3n1)CC2
InChIInChI=1S/C19H25N5O2/c1-22-10-4-9-20-18(26)19(22)7-11-23(12-8-19)17(25)14-24-13-15-5-2-3-6-16(15)21-24/h2-3,5-6,13H,4,7-12,14H2,1H3,(H,20,26)
InChIKeyPEWZMDICELHYCH-UHFFFAOYSA-N
MW355.44 g/mol
LogP0.85
Rot. Bonds2

About 3-(2-indazol-2-ylacetyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one

3-(2-indazol-2-ylacetyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one (PubChem CID 56746464) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-(2-indazol-2-ylacetyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one.

Molecular Properties

Compound Name3-(2-indazol-2-ylacetyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
PubChem CID56746464
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name3-(2-indazol-2-ylacetyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
SMILESCN1CCCNC(=O)C12CCN(C(=O)Cn1cc3ccccc3n1)CC2
InChIInChI=1S/C19H25N5O2/c1-22-10-4-9-20-18(26)19(22)7-11-23(12-8-19)17(25)14-24-13-15-5-2-3-6-16(15)21-24/h2-3,5-6,13H,4,7-12,14H2,1H3,(H,20,26)
InChIKeyPEWZMDICELHYCH-UHFFFAOYSA-N
XLogP0.85
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-3-[4-(tetrazol-1-yl)butanoyl]-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 119071322
9-[2-(azocan-1-yl)acetyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56738774
7-methyl-3-(quinoline-8-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 56738764
3-(2,3-dimethylquinoxaline-6-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 72839296
3-[2-(2,5-dimethoxyphenyl)acetyl]-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 56743458
7-methyl-3-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 70708559
ethyl (2S)-2-[(7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carbonyl)amino]propanoate
CID 95219186
7-methyl-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 77081164
N-[2-(1H-imidazol-5-yl)ethyl]-7-methyl-12-oxo-3,7,11-triazaspiro[5.6]dodecane-3-carboxamide
CID 119064340
7-methyl-3-(3-prop-2-enoxybenzoyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 56743339
1-[3-fluoro-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]-2-indazol-2-ylethanone
CID 154800593
3-(2,5-dimethylfuran-3-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 86285979

Frequently Asked Questions

What is the IUPAC name of 3-(2-indazol-2-ylacetyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one?
The IUPAC name of 3-(2-indazol-2-ylacetyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one (CID 56746464) is 3-(2-indazol-2-ylacetyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one.
What is the SMILES notation for 3-(2-indazol-2-ylacetyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one?
The canonical SMILES for 3-(2-indazol-2-ylacetyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one is CN1CCCNC(=O)C12CCN(C(=O)Cn1cc3ccccc3n1)CC2.
What is the InChIKey of 3-(2-indazol-2-ylacetyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one?
The InChIKey is PEWZMDICELHYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-22-10-4-9-20-18(26)19(22)7-11-23(12-8-19)17(25)14-24-13-15-5-2-3-6-16(15)21-24/h2-3,5-6,13H,4,7-12,14H2,1H3,(H,20,26).
What are the key properties of 3-(2-indazol-2-ylacetyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one?
3-(2-indazol-2-ylacetyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one has a molecular weight of 355.44 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-indazol-2-ylacetyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one is sourced from PubChem (CID 56746464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).