7-(3-fluoropropanoyl)-2-propan-2-yl-9-(2-propan-2-ylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one;formic acid

C21H33FN4O6 — CID 155870587

IUPAC7-(3-fluoropropanoyl)-2-propan-2-yl-9-(2-propan-2-ylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one;formic acid
SMILESCC(C)N1CCC2(CN(C(=O)CCF)CC2c2ccnn2C(C)C)C1=O.O=CO.O=CO
InChIInChI=1S/C19H29FN4O2.2CH2O2/c1-13(2)23-10-7-19(18(23)26)12-22(17(25)5-8-20)11-15(19)16-6-9-21-24(16)14(3)4;2*2-1-3/h6,9,13-15H,5,7-8,10-12H2,1-4H3;2*1H,(H,2,3)
InChIKeyRCUSYLCINJKNMU-UHFFFAOYSA-N
MW456.52 g/mol
LogP1.78
Rot. Bonds5

About 7-(3-fluoropropanoyl)-2-propan-2-yl-9-(2-propan-2-ylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one;formic acid

7-(3-fluoropropanoyl)-2-propan-2-yl-9-(2-propan-2-ylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one;formic acid (PubChem CID 155870587) has the molecular formula C21H33FN4O6 and a molecular weight of 456.52 g/mol. Its IUPAC name is 7-(3-fluoropropanoyl)-2-propan-2-yl-9-(2-propan-2-ylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one;formic acid.

Molecular Properties

Compound Name7-(3-fluoropropanoyl)-2-propan-2-yl-9-(2-propan-2-ylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one;formic acid
PubChem CID155870587
Molecular FormulaC21H33FN4O6
Molecular Weight456.52 g/mol
Exact Mass456.24
IUPAC Name7-(3-fluoropropanoyl)-2-propan-2-yl-9-(2-propan-2-ylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one;formic acid
SMILESCC(C)N1CCC2(CN(C(=O)CCF)CC2c2ccnn2C(C)C)C1=O.O=CO.O=CO
InChIInChI=1S/C19H29FN4O2.2CH2O2/c1-13(2)23-10-7-19(18(23)26)12-22(17(25)5-8-20)11-15(19)16-6-9-21-24(16)14(3)4;2*2-1-3/h6,9,13-15H,5,7-8,10-12H2,1-4H3;2*1H,(H,2,3)
InChIKeyRCUSYLCINJKNMU-UHFFFAOYSA-N
XLogP1.78
TPSA133.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 7-(3-fluoropropanoyl)-2-propan-2-yl-9-(2-propan-2-ylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one;formic acid 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

(4S,5S)-2-(2-ethoxyacetyl)-4-(2-propan-2-ylpyrazol-3-yl)-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one;2,2,2-trifluoroacetic acid
CID 171694504
(4S,5S)-2-(2-ethoxyacetyl)-4-(2-propan-2-ylpyrazol-3-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one;bis(2,2,2-trifluoroacetic acid)
CID 155866711
(4S,5S)-2-acetyl-4-(2-propan-2-ylpyrazol-3-yl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one;bis(2,2,2-trifluoroacetic acid)
CID 155866614
4-(2-propan-2-ylpyrazol-3-yl)-7-(pyridin-3-ylmethyl)-2-(1H-pyrrole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 131681869
(4S,5S)-7-methyl-4-(2-propan-2-ylpyrazol-3-yl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one;2,2,2-trifluoroacetic acid
CID 171695715
(4S,5S)-7-methyl-4-(2-propan-2-ylpyrazol-3-yl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one;bis(2,2,2-trifluoroacetic acid)
CID 155859366
(4S,5S)-2-(furan-2-ylmethyl)-4-(2-propan-2-ylpyrazol-3-yl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one;2,2,2-trifluoroacetic acid
CID 155862124
7-[2-(furan-2-yl)acetyl]-2-(2-methoxyethyl)-9-(1-methylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131672334
2-(1,4-dimethylpiperazin-2-yl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone
CID 114197551
[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 124588881
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-7-[(E)-3-thiophen-2-ylprop-2-enoyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 131681654
(3R,4R)-4-methyl-3-phenoxy-1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 110146904

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoropropanoyl)-2-propan-2-yl-9-(2-propan-2-ylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one;formic acid?
The IUPAC name of 7-(3-fluoropropanoyl)-2-propan-2-yl-9-(2-propan-2-ylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one;formic acid (CID 155870587) is 7-(3-fluoropropanoyl)-2-propan-2-yl-9-(2-propan-2-ylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one;formic acid.
What is the SMILES notation for 7-(3-fluoropropanoyl)-2-propan-2-yl-9-(2-propan-2-ylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one;formic acid?
The canonical SMILES for 7-(3-fluoropropanoyl)-2-propan-2-yl-9-(2-propan-2-ylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one;formic acid is CC(C)N1CCC2(CN(C(=O)CCF)CC2c2ccnn2C(C)C)C1=O.O=CO.O=CO.
What is the InChIKey of 7-(3-fluoropropanoyl)-2-propan-2-yl-9-(2-propan-2-ylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one;formic acid?
The InChIKey is RCUSYLCINJKNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O2.2CH2O2/c1-13(2)23-10-7-19(18(23)26)12-22(17(25)5-8-20)11-15(19)16-6-9-21-24(16)14(3)4;2*2-1-3/h6,9,13-15H,5,7-8,10-12H2,1-4H3;2*1H,(H,2,3).
What are the key properties of 7-(3-fluoropropanoyl)-2-propan-2-yl-9-(2-propan-2-ylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one;formic acid?
7-(3-fluoropropanoyl)-2-propan-2-yl-9-(2-propan-2-ylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one;formic acid has a molecular weight of 456.52 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoropropanoyl)-2-propan-2-yl-9-(2-propan-2-ylpyrazol-3-yl)-2,7-diazaspiro[4.4]nonan-1-one;formic acid is sourced from PubChem (CID 155870587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).