2-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C20H27N3O2 — CID 135098810

IUPAC2-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCO[C@@H]1CCC[C@@]12CCCN(Cc1cc(=O)n3cc(C)ccc3n1)C2
InChIInChI=1S/C20H27N3O2/c1-15-6-7-18-21-16(11-19(24)23(18)12-15)13-22-10-4-9-20(14-22)8-3-5-17(20)25-2/h6-7,11-12,17H,3-5,8-10,13-14H2,1-2H3/t17-,20+/m1/s1
InChIKeyQIYGZGFRCNXGTL-XLIONFOSSA-N
MW341.46 g/mol
LogP2.78
Rot. Bonds3

About 2-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 135098810) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID135098810
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCO[C@@H]1CCC[C@@]12CCCN(Cc1cc(=O)n3cc(C)ccc3n1)C2
InChIInChI=1S/C20H27N3O2/c1-15-6-7-18-21-16(11-19(24)23(18)12-15)13-22-10-4-9-20(14-22)8-3-5-17(20)25-2/h6-7,11-12,17H,3-5,8-10,13-14H2,1-2H3/t17-,20+/m1/s1
InChIKeyQIYGZGFRCNXGTL-XLIONFOSSA-N
XLogP2.78
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 135098810) is 2-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is CO[C@@H]1CCC[C@@]12CCCN(Cc1cc(=O)n3cc(C)ccc3n1)C2.
What is the InChIKey of 2-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QIYGZGFRCNXGTL-XLIONFOSSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15-6-7-18-21-16(11-19(24)23(18)12-15)13-22-10-4-9-20(14-22)8-3-5-17(20)25-2/h6-7,11-12,17H,3-5,8-10,13-14H2,1-2H3/t17-,20+/m1/s1.
What are the key properties of 2-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 341.46 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135098810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).