(3-cyclopropyl-3-fluoroazetidin-1-yl)-(9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl)methanone

C18H22FN5O2 — CID 131682606

IUPAC(3-cyclopropyl-3-fluoroazetidin-1-yl)-(9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl)methanone
SMILESO=C(C1=NOC2(CCCN(c3ncccn3)C2)C1)N1CC(F)(C2CC2)C1
InChIInChI=1S/C18H22FN5O2/c19-18(13-3-4-13)11-24(12-18)15(25)14-9-17(26-22-14)5-1-8-23(10-17)16-20-6-2-7-21-16/h2,6-7,13H,1,3-5,8-12H2
InChIKeyWFIYBBWAAIHYRV-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.55
Rot. Bonds3

About (3-cyclopropyl-3-fluoroazetidin-1-yl)-(9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl)methanone

(3-cyclopropyl-3-fluoroazetidin-1-yl)-(9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl)methanone (PubChem CID 131682606) has the molecular formula C18H22FN5O2 and a molecular weight of 359.41 g/mol. Its IUPAC name is (3-cyclopropyl-3-fluoroazetidin-1-yl)-(9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl)methanone.

Molecular Properties

Compound Name(3-cyclopropyl-3-fluoroazetidin-1-yl)-(9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl)methanone
PubChem CID131682606
Molecular FormulaC18H22FN5O2
Molecular Weight359.41 g/mol
Exact Mass359.18
IUPAC Name(3-cyclopropyl-3-fluoroazetidin-1-yl)-(9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl)methanone
SMILESO=C(C1=NOC2(CCCN(c3ncccn3)C2)C1)N1CC(F)(C2CC2)C1
InChIInChI=1S/C18H22FN5O2/c19-18(13-3-4-13)11-24(12-18)15(25)14-9-17(26-22-14)5-1-8-23(10-17)16-20-6-2-7-21-16/h2,6-7,13H,1,3-5,8-12H2
InChIKeyWFIYBBWAAIHYRV-UHFFFAOYSA-N
XLogP1.55
TPSA70.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-3-fluoroazetidin-1-yl)-(9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl)methanone?
The IUPAC name of (3-cyclopropyl-3-fluoroazetidin-1-yl)-(9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl)methanone (CID 131682606) is (3-cyclopropyl-3-fluoroazetidin-1-yl)-(9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl)methanone.
What is the SMILES notation for (3-cyclopropyl-3-fluoroazetidin-1-yl)-(9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl)methanone?
The canonical SMILES for (3-cyclopropyl-3-fluoroazetidin-1-yl)-(9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl)methanone is O=C(C1=NOC2(CCCN(c3ncccn3)C2)C1)N1CC(F)(C2CC2)C1.
What is the InChIKey of (3-cyclopropyl-3-fluoroazetidin-1-yl)-(9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl)methanone?
The InChIKey is WFIYBBWAAIHYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O2/c19-18(13-3-4-13)11-24(12-18)15(25)14-9-17(26-22-14)5-1-8-23(10-17)16-20-6-2-7-21-16/h2,6-7,13H,1,3-5,8-12H2.
What are the key properties of (3-cyclopropyl-3-fluoroazetidin-1-yl)-(9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl)methanone?
(3-cyclopropyl-3-fluoroazetidin-1-yl)-(9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl)methanone has a molecular weight of 359.41 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-3-fluoroazetidin-1-yl)-(9-pyrimidin-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl)methanone is sourced from PubChem (CID 131682606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).