(6S)-8-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

C20H30N6O — CID 96580678

IUPAC(6S)-8-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1nn(C)cc1CN1CCC[C@]2(CCC(=O)N(CCc3cnc[nH]3)C2)C1
InChIInChI=1S/C20H30N6O/c1-16-17(11-24(2)23-16)12-25-8-3-6-20(13-25)7-4-19(27)26(14-20)9-5-18-10-21-15-22-18/h10-11,15H,3-9,12-14H2,1-2H3,(H,21,22)/t20-/m0/s1
InChIKeyNFINLFYHRCAERK-FQEVSTJZSA-N
MW370.50 g/mol
LogP1.90
Rot. Bonds5

About (6S)-8-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

(6S)-8-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 96580678) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is (6S)-8-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-8-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID96580678
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name(6S)-8-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1nn(C)cc1CN1CCC[C@]2(CCC(=O)N(CCc3cnc[nH]3)C2)C1
InChIInChI=1S/C20H30N6O/c1-16-17(11-24(2)23-16)12-25-8-3-6-20(13-25)7-4-19(27)26(14-20)9-5-18-10-21-15-22-18/h10-11,15H,3-9,12-14H2,1-2H3,(H,21,22)/t20-/m0/s1
InChIKeyNFINLFYHRCAERK-FQEVSTJZSA-N
XLogP1.90
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-8-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(4-fluorophenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70744882
2-[(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetic acid
CID 96573844
(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-8-[(1-propan-2-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97153299
8-[(2-fluoro-4-methoxyphenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70719508
(6S)-8-[(2-fluoro-4-methoxyphenyl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96573148
8-[[5-(hydroxymethyl)furan-2-yl]methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72938453
8-(3-cyclopentylpropyl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70763333
3-[[(6S)-2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]benzonitrile
CID 97146222
(6S)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97115766
(6R)-8-(6-ethyl-2-methylpyrimidin-4-yl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97121302
(6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-(5-methylpyrazine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97122235
2-[2-(1H-imidazol-5-yl)ethyl]-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70750354

Frequently Asked Questions

What is the IUPAC name of (6S)-8-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-8-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 96580678) is (6S)-8-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-8-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-8-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is Cc1nn(C)cc1CN1CCC[C@]2(CCC(=O)N(CCc3cnc[nH]3)C2)C1.
What is the InChIKey of (6S)-8-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is NFINLFYHRCAERK-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H30N6O/c1-16-17(11-24(2)23-16)12-25-8-3-6-20(13-25)7-4-19(27)26(14-20)9-5-18-10-21-15-22-18/h10-11,15H,3-9,12-14H2,1-2H3,(H,21,22)/t20-/m0/s1.
What are the key properties of (6S)-8-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-8-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 370.50 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-[(1,3-dimethylpyrazol-4-yl)methyl]-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 96580678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).