7-(5-fluoropyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one

C15H17FN6O — CID 131662378

IUPAC7-(5-fluoropyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCn1cc(N2CC3(CCN(c4ncc(F)cn4)C3)CC2=O)cn1
InChIInChI=1S/C15H17FN6O/c1-20-8-12(7-19-20)22-10-15(4-13(22)23)2-3-21(9-15)14-17-5-11(16)6-18-14/h5-8H,2-4,9-10H2,1H3
InChIKeyQFHGJNFQQMYZKB-UHFFFAOYSA-N
MW316.34 g/mol
LogP0.98
Rot. Bonds2

About 7-(5-fluoropyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one

7-(5-fluoropyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 131662378) has the molecular formula C15H17FN6O and a molecular weight of 316.34 g/mol. Its IUPAC name is 7-(5-fluoropyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7-(5-fluoropyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID131662378
Molecular FormulaC15H17FN6O
Molecular Weight316.34 g/mol
Exact Mass316.14
IUPAC Name7-(5-fluoropyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCn1cc(N2CC3(CCN(c4ncc(F)cn4)C3)CC2=O)cn1
InChIInChI=1S/C15H17FN6O/c1-20-8-12(7-19-20)22-10-15(4-13(22)23)2-3-21(9-15)14-17-5-11(16)6-18-14/h5-8H,2-4,9-10H2,1H3
InChIKeyQFHGJNFQQMYZKB-UHFFFAOYSA-N
XLogP0.98
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoropyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 7-(5-fluoropyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one (CID 131662378) is 7-(5-fluoropyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7-(5-fluoropyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 7-(5-fluoropyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one is Cn1cc(N2CC3(CCN(c4ncc(F)cn4)C3)CC2=O)cn1.
What is the InChIKey of 7-(5-fluoropyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is QFHGJNFQQMYZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6O/c1-20-8-12(7-19-20)22-10-15(4-13(22)23)2-3-21(9-15)14-17-5-11(16)6-18-14/h5-8H,2-4,9-10H2,1H3.
What are the key properties of 7-(5-fluoropyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
7-(5-fluoropyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 316.34 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoropyrimidin-2-yl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 131662378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).