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

C20H26N4O3 — CID 147655942

IUPACtert-butyl 7-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate
SMILESCc1cc(=O)n2cc(N3CCN(C(=O)OC(C)(C)C)C4(CC4)C3)ccc2n1
InChIInChI=1S/C20H26N4O3/c1-14-11-17(25)23-12-15(5-6-16(23)21-14)22-9-10-24(20(13-22)7-8-20)18(26)27-19(2,3)4/h5-6,11-12H,7-10,13H2,1-4H3
InChIKeyGKKCTALNFVSTMA-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.59
Rot. Bonds1

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

tert-butyl 7-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate (PubChem CID 147655942) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is tert-butyl 7-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate
PubChem CID147655942
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Nametert-butyl 7-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate
SMILESCc1cc(=O)n2cc(N3CCN(C(=O)OC(C)(C)C)C4(CC4)C3)ccc2n1
InChIInChI=1S/C20H26N4O3/c1-14-11-17(25)23-12-15(5-6-16(23)21-14)22-9-10-24(20(13-22)7-8-20)18(26)27-19(2,3)4/h5-6,11-12H,7-10,13H2,1-4H3
InChIKeyGKKCTALNFVSTMA-UHFFFAOYSA-N
XLogP2.59
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate?
The IUPAC name of tert-butyl 7-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate (CID 147655942) is tert-butyl 7-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate.
What is the SMILES notation for tert-butyl 7-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate?
The canonical SMILES for tert-butyl 7-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate is Cc1cc(=O)n2cc(N3CCN(C(=O)OC(C)(C)C)C4(CC4)C3)ccc2n1.
What is the InChIKey of tert-butyl 7-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate?
The InChIKey is GKKCTALNFVSTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14-11-17(25)23-12-15(5-6-16(23)21-14)22-9-10-24(20(13-22)7-8-20)18(26)27-19(2,3)4/h5-6,11-12H,7-10,13H2,1-4H3.
What are the key properties of tert-butyl 7-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate?
tert-butyl 7-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(2-methyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate is sourced from PubChem (CID 147655942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).