7-(2-fluoropyridine-4-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one

C17H16FN5O2 — CID 131679795

IUPAC7-(2-fluoropyridine-4-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C(c1ccnc(F)c1)N1CCC2(CC(=O)N(c3cncnc3)C2)C1
InChIInChI=1S/C17H16FN5O2/c18-14-5-12(1-3-21-14)16(25)22-4-2-17(9-22)6-15(24)23(10-17)13-7-19-11-20-8-13/h1,3,5,7-8,11H,2,4,6,9-10H2
InChIKeyKZMMJIGUHMNUGV-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.28
Rot. Bonds2

About 7-(2-fluoropyridine-4-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one

7-(2-fluoropyridine-4-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 131679795) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 7-(2-fluoropyridine-4-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7-(2-fluoropyridine-4-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID131679795
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name7-(2-fluoropyridine-4-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C(c1ccnc(F)c1)N1CCC2(CC(=O)N(c3cncnc3)C2)C1
InChIInChI=1S/C17H16FN5O2/c18-14-5-12(1-3-21-14)16(25)22-4-2-17(9-22)6-15(24)23(10-17)13-7-19-11-20-8-13/h1,3,5,7-8,11H,2,4,6,9-10H2
InChIKeyKZMMJIGUHMNUGV-UHFFFAOYSA-N
XLogP1.28
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoropyridine-4-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 7-(2-fluoropyridine-4-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one (CID 131679795) is 7-(2-fluoropyridine-4-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7-(2-fluoropyridine-4-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 7-(2-fluoropyridine-4-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one is O=C(c1ccnc(F)c1)N1CCC2(CC(=O)N(c3cncnc3)C2)C1.
What is the InChIKey of 7-(2-fluoropyridine-4-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is KZMMJIGUHMNUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c18-14-5-12(1-3-21-14)16(25)22-4-2-17(9-22)6-15(24)23(10-17)13-7-19-11-20-8-13/h1,3,5,7-8,11H,2,4,6,9-10H2.
What are the key properties of 7-(2-fluoropyridine-4-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one?
7-(2-fluoropyridine-4-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 341.35 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoropyridine-4-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 131679795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).