6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione

C18H21FN4O3 — CID 22560173

IUPAC6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CC(N)C3(CC3)C2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C18H21FN4O3/c1-26-15-13(22-7-11(20)18(8-22)4-5-18)10(19)6-23-14(15)12(9-2-3-9)16(24)21-17(23)25/h6,9,11H,2-5,7-8,20H2,1H3,(H,21,24,25)
InChIKeyVEWBEJBIEACHMR-UHFFFAOYSA-N
MW360.39 g/mol
LogP0.94
Rot. Bonds3

About 6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione

6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (PubChem CID 22560173) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is 6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.

Molecular Properties

Compound Name6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
PubChem CID22560173
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione
SMILESCOc1c(N2CC(N)C3(CC3)C2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12
InChIInChI=1S/C18H21FN4O3/c1-26-15-13(22-7-11(20)18(8-22)4-5-18)10(19)6-23-14(15)12(9-2-3-9)16(24)21-17(23)25/h6,9,11H,2-5,7-8,20H2,1H3,(H,21,24,25)
InChIKeyVEWBEJBIEACHMR-UHFFFAOYSA-N
XLogP0.94
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The IUPAC name of 6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione (CID 22560173) is 6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione.
What is the SMILES notation for 6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The canonical SMILES for 6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is COc1c(N2CC(N)C3(CC3)C2)c(F)cn2c(=O)[nH]c(=O)c(C3CC3)c12.
What is the InChIKey of 6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
The InChIKey is VEWBEJBIEACHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-26-15-13(22-7-11(20)18(8-22)4-5-18)10(19)6-23-14(15)12(9-2-3-9)16(24)21-17(23)25/h6,9,11H,2-5,7-8,20H2,1H3,(H,21,24,25).
What are the key properties of 6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione?
6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione has a molecular weight of 360.39 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-4-cyclopropyl-7-fluoro-5-methoxypyrido[1,2-c]pyrimidine-1,3-dione is sourced from PubChem (CID 22560173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).