(3-fluorophenyl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone

C18H19FN4O — CID 3234351

IUPAC(3-fluorophenyl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC2(CC1)CN(c1ncccn1)C2
InChIInChI=1S/C18H19FN4O/c19-15-4-1-3-14(11-15)16(24)22-9-5-18(6-10-22)12-23(13-18)17-20-7-2-8-21-17/h1-4,7-8,11H,5-6,9-10,12-13H2
InChIKeySKMWUDGKDREALD-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.36
Rot. Bonds2

About (3-fluorophenyl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone

(3-fluorophenyl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone (PubChem CID 3234351) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is (3-fluorophenyl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
PubChem CID3234351
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name(3-fluorophenyl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC2(CC1)CN(c1ncccn1)C2
InChIInChI=1S/C18H19FN4O/c19-15-4-1-3-14(11-15)16(24)22-9-5-18(6-10-22)12-23(13-18)17-20-7-2-8-21-17/h1-4,7-8,11H,5-6,9-10,12-13H2
InChIKeySKMWUDGKDREALD-UHFFFAOYSA-N
XLogP2.36
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone (CID 3234351) is (3-fluorophenyl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone is O=C(c1cccc(F)c1)N1CCC2(CC1)CN(c1ncccn1)C2.
What is the InChIKey of (3-fluorophenyl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
The InChIKey is SKMWUDGKDREALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c19-15-4-1-3-14(11-15)16(24)22-9-5-18(6-10-22)12-23(13-18)17-20-7-2-8-21-17/h1-4,7-8,11H,5-6,9-10,12-13H2.
What are the key properties of (3-fluorophenyl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone?
(3-fluorophenyl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone has a molecular weight of 326.38 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(2-pyrimidin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)methanone is sourced from PubChem (CID 3234351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).