8-(1-fluorocyclobutanecarbonyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

C17H21FN4O4 — CID 131685144

IUPAC8-(1-fluorocyclobutanecarbonyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESO=C1COC2(COCCN(C(=O)C3(F)CCC3)C2)CN1c1cncnc1
InChIInChI=1S/C17H21FN4O4/c18-17(2-1-3-17)15(24)21-4-5-25-11-16(9-21)10-22(14(23)8-26-16)13-6-19-12-20-7-13/h6-7,12H,1-5,8-11H2
InChIKeyGOUAROUPWZRVBO-UHFFFAOYSA-N
MW364.38 g/mol
LogP0.33
Rot. Bonds2

About 8-(1-fluorocyclobutanecarbonyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

8-(1-fluorocyclobutanecarbonyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (PubChem CID 131685144) has the molecular formula C17H21FN4O4 and a molecular weight of 364.38 g/mol. Its IUPAC name is 8-(1-fluorocyclobutanecarbonyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name8-(1-fluorocyclobutanecarbonyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
PubChem CID131685144
Molecular FormulaC17H21FN4O4
Molecular Weight364.38 g/mol
Exact Mass364.15
IUPAC Name8-(1-fluorocyclobutanecarbonyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESO=C1COC2(COCCN(C(=O)C3(F)CCC3)C2)CN1c1cncnc1
InChIInChI=1S/C17H21FN4O4/c18-17(2-1-3-17)15(24)21-4-5-25-11-16(9-21)10-22(14(23)8-26-16)13-6-19-12-20-7-13/h6-7,12H,1-5,8-11H2
InChIKeyGOUAROUPWZRVBO-UHFFFAOYSA-N
XLogP0.33
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(1-fluorocyclobutanecarbonyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(1-fluorocyclobutanecarbonyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 8-(1-fluorocyclobutanecarbonyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (CID 131685144) is 8-(1-fluorocyclobutanecarbonyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 8-(1-fluorocyclobutanecarbonyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 8-(1-fluorocyclobutanecarbonyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is O=C1COC2(COCCN(C(=O)C3(F)CCC3)C2)CN1c1cncnc1.
What is the InChIKey of 8-(1-fluorocyclobutanecarbonyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The InChIKey is GOUAROUPWZRVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O4/c18-17(2-1-3-17)15(24)21-4-5-25-11-16(9-21)10-22(14(23)8-26-16)13-6-19-12-20-7-13/h6-7,12H,1-5,8-11H2.
What are the key properties of 8-(1-fluorocyclobutanecarbonyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
8-(1-fluorocyclobutanecarbonyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one has a molecular weight of 364.38 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-fluorocyclobutanecarbonyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 131685144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).