3-(5-methyl-1H-imidazol-2-yl)-1-[2-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one

C19H26N6O2 — CID 167981179

IUPAC3-(5-methyl-1H-imidazol-2-yl)-1-[2-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
SMILESCc1cnc(CCC(=O)N2CCC3(CC2)CCN(C(=O)c2ccn[nH]2)C3)[nH]1
InChIInChI=1S/C19H26N6O2/c1-14-12-20-16(22-14)2-3-17(26)24-9-5-19(6-10-24)7-11-25(13-19)18(27)15-4-8-21-23-15/h4,8,12H,2-3,5-7,9-11,13H2,1H3,(H,20,22)(H,21,23)
InChIKeyIQCVOPZGBWPTJD-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.53
Rot. Bonds4

About 3-(5-methyl-1H-imidazol-2-yl)-1-[2-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one

3-(5-methyl-1H-imidazol-2-yl)-1-[2-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one (PubChem CID 167981179) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-(5-methyl-1H-imidazol-2-yl)-1-[2-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one.

Molecular Properties

Compound Name3-(5-methyl-1H-imidazol-2-yl)-1-[2-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
PubChem CID167981179
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name3-(5-methyl-1H-imidazol-2-yl)-1-[2-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
SMILESCc1cnc(CCC(=O)N2CCC3(CC2)CCN(C(=O)c2ccn[nH]2)C3)[nH]1
InChIInChI=1S/C19H26N6O2/c1-14-12-20-16(22-14)2-3-17(26)24-9-5-19(6-10-24)7-11-25(13-19)18(27)15-4-8-21-23-15/h4,8,12H,2-3,5-7,9-11,13H2,1H3,(H,20,22)(H,21,23)
InChIKeyIQCVOPZGBWPTJD-UHFFFAOYSA-N
XLogP1.53
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(5-methyl-1H-imidazol-2-yl)-1-[2-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one with MolForge

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Related Compounds

(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 103727095
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 120808347
1-[3-(hydroxymethyl)-3-methyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 110155722
3-ethyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 55165492
(3R)-2-propyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95897333
1-[4-[2-(5-methyl-1H-imidazol-2-yl)ethyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 67753529
3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 63138175
(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 60779006
4-ethyl-1-methyl-9-(1H-pyrazole-5-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495690
1-(8,8-dioxo-8λ6-thia-2-azaspiro[4.5]decan-2-yl)-3-(3H-imidazo[4,5-c]pyridin-2-yl)propan-1-one
CID 154847806
4-[3-oxo-7-(1H-pyrazole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile
CID 131681839
(4-amino-3,3-dimethylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 120818433

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-imidazol-2-yl)-1-[2-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one?
The IUPAC name of 3-(5-methyl-1H-imidazol-2-yl)-1-[2-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one (CID 167981179) is 3-(5-methyl-1H-imidazol-2-yl)-1-[2-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one.
What is the SMILES notation for 3-(5-methyl-1H-imidazol-2-yl)-1-[2-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one?
The canonical SMILES for 3-(5-methyl-1H-imidazol-2-yl)-1-[2-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one is Cc1cnc(CCC(=O)N2CCC3(CC2)CCN(C(=O)c2ccn[nH]2)C3)[nH]1.
What is the InChIKey of 3-(5-methyl-1H-imidazol-2-yl)-1-[2-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one?
The InChIKey is IQCVOPZGBWPTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-14-12-20-16(22-14)2-3-17(26)24-9-5-19(6-10-24)7-11-25(13-19)18(27)15-4-8-21-23-15/h4,8,12H,2-3,5-7,9-11,13H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-(5-methyl-1H-imidazol-2-yl)-1-[2-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one?
3-(5-methyl-1H-imidazol-2-yl)-1-[2-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one has a molecular weight of 370.46 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-imidazol-2-yl)-1-[2-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one is sourced from PubChem (CID 167981179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).