7-(1-fluorocyclopropanecarbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one

C15H19FN4O2 — CID 131682051

IUPAC7-(1-fluorocyclopropanecarbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCn1cc(N2CC3(CCN(C(=O)C4(F)CC4)C3)CC2=O)cn1
InChIInChI=1S/C15H19FN4O2/c1-18-8-11(7-17-18)20-10-14(6-12(20)21)4-5-19(9-14)13(22)15(16)2-3-15/h7-8H,2-6,9-10H2,1H3
InChIKeyCINPJNDDKQUXOO-UHFFFAOYSA-N
MW306.34 g/mol
LogP0.88
Rot. Bonds2

About 7-(1-fluorocyclopropanecarbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one

7-(1-fluorocyclopropanecarbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 131682051) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is 7-(1-fluorocyclopropanecarbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7-(1-fluorocyclopropanecarbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID131682051
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Name7-(1-fluorocyclopropanecarbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCn1cc(N2CC3(CCN(C(=O)C4(F)CC4)C3)CC2=O)cn1
InChIInChI=1S/C15H19FN4O2/c1-18-8-11(7-17-18)20-10-14(6-12(20)21)4-5-19(9-14)13(22)15(16)2-3-15/h7-8H,2-6,9-10H2,1H3
InChIKeyCINPJNDDKQUXOO-UHFFFAOYSA-N
XLogP0.88
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(1-fluorocyclopropanecarbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 7-(1-fluorocyclopropanecarbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one (CID 131682051) is 7-(1-fluorocyclopropanecarbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7-(1-fluorocyclopropanecarbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 7-(1-fluorocyclopropanecarbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one is Cn1cc(N2CC3(CCN(C(=O)C4(F)CC4)C3)CC2=O)cn1.
What is the InChIKey of 7-(1-fluorocyclopropanecarbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is CINPJNDDKQUXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-18-8-11(7-17-18)20-10-14(6-12(20)21)4-5-19(9-14)13(22)15(16)2-3-15/h7-8H,2-6,9-10H2,1H3.
What are the key properties of 7-(1-fluorocyclopropanecarbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
7-(1-fluorocyclopropanecarbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 306.34 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-fluorocyclopropanecarbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 131682051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).