tert-butyl 7-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4-azaspiro[2.5]octane-4-carboxylate

C20H25N3O4 — CID 169178838

IUPACtert-butyl 7-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4-azaspiro[2.5]octane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc3nc(O)cc(=O)n3c2)CC12CC2
InChIInChI=1S/C20H25N3O4/c1-19(2,3)27-18(26)23-9-6-13(11-20(23)7-8-20)14-4-5-15-21-16(24)10-17(25)22(15)12-14/h4-5,10,12-13,24H,6-9,11H2,1-3H3
InChIKeyLXXFCWZYHRUKKD-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.05
Rot. Bonds1

About tert-butyl 7-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4-azaspiro[2.5]octane-4-carboxylate

tert-butyl 7-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4-azaspiro[2.5]octane-4-carboxylate (PubChem CID 169178838) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is tert-butyl 7-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4-azaspiro[2.5]octane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4-azaspiro[2.5]octane-4-carboxylate
PubChem CID169178838
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Nametert-butyl 7-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4-azaspiro[2.5]octane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc3nc(O)cc(=O)n3c2)CC12CC2
InChIInChI=1S/C20H25N3O4/c1-19(2,3)27-18(26)23-9-6-13(11-20(23)7-8-20)14-4-5-15-21-16(24)10-17(25)22(15)12-14/h4-5,10,12-13,24H,6-9,11H2,1-3H3
InChIKeyLXXFCWZYHRUKKD-UHFFFAOYSA-N
XLogP3.05
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 7-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4-azaspiro[2.5]octane-4-carboxylate with MolForge

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Related Compounds

tert-butyl 7-[2-(2,7-dimethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-4-azaspiro[2.5]octane-4-carboxylate
CID 169178847
tert-butyl (7R)-7-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-4-azaspiro[2.5]octane-4-carboxylate
CID 166116816
4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octane-7-carboxylate
CID 170992407
tert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate
CID 171991625
tert-butyl (4R)-4-naphthalen-2-yl-2-oxopiperidine-1-carboxylate
CID 102457240
tert-butyl 7-[7-fluoro-5-(7-fluoro-2-methylindazol-5-yl)indazol-2-yl]-4-azaspiro[2.5]octane-4-carboxylate
CID 168902406
tert-butyl 7-[(3-chloro-2-pyridinyl)oxy]-4-azaspiro[2.5]octane-4-carboxylate
CID 146404981
tert-butyl 2,2-dimethyl-4-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-1-carboxylate
CID 156708870
tert-butyl (3R,4S)-3-fluoro-4-hydroxy-4-(7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-2-yl)piperidine-1-carboxylate
CID 170672384
tert-butyl (1S)-1-methyl-7-oxo-2-azabicyclo[3.2.0]heptane-2-carboxylate
CID 156758119
benzyl 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4-azaspiro[2.5]octan-7-yl]spiro[3H-chromeno[3,4-d]imidazole-4,4'-piperidine]-1'-carboxylate
CID 178145172
tert-butyl 7-[3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]-4-azaspiro[2.5]octane-4-carboxylate
CID 155277258

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4-azaspiro[2.5]octane-4-carboxylate?
The IUPAC name of tert-butyl 7-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4-azaspiro[2.5]octane-4-carboxylate (CID 169178838) is tert-butyl 7-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4-azaspiro[2.5]octane-4-carboxylate.
What is the SMILES notation for tert-butyl 7-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4-azaspiro[2.5]octane-4-carboxylate?
The canonical SMILES for tert-butyl 7-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4-azaspiro[2.5]octane-4-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccc3nc(O)cc(=O)n3c2)CC12CC2.
What is the InChIKey of tert-butyl 7-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4-azaspiro[2.5]octane-4-carboxylate?
The InChIKey is LXXFCWZYHRUKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-19(2,3)27-18(26)23-9-6-13(11-20(23)7-8-20)14-4-5-15-21-16(24)10-17(25)22(15)12-14/h4-5,10,12-13,24H,6-9,11H2,1-3H3.
What are the key properties of tert-butyl 7-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4-azaspiro[2.5]octane-4-carboxylate?
tert-butyl 7-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4-azaspiro[2.5]octane-4-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4-azaspiro[2.5]octane-4-carboxylate is sourced from PubChem (CID 169178838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).