1'-[(3-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one

C23H27N5O3 — CID 165427419

IUPAC1'-[(3-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
SMILESCOc1cccc(CN2CCC3(C2)Cn2c(nn(Cc4cccc(C)n4)c2=O)CO3)c1
InChIInChI=1S/C23H27N5O3/c1-17-5-3-7-19(24-17)13-28-22(29)27-16-23(31-14-21(27)25-28)9-10-26(15-23)12-18-6-4-8-20(11-18)30-2/h3-8,11H,9-10,12-16H2,1-2H3
InChIKeyCFFPBRMSNXGKMK-UHFFFAOYSA-N
MW421.50 g/mol
LogP1.98
Rot. Bonds5

About 1'-[(3-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one

1'-[(3-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one (PubChem CID 165427419) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 1'-[(3-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name1'-[(3-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
PubChem CID165427419
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name1'-[(3-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one
SMILESCOc1cccc(CN2CCC3(C2)Cn2c(nn(Cc4cccc(C)n4)c2=O)CO3)c1
InChIInChI=1S/C23H27N5O3/c1-17-5-3-7-19(24-17)13-28-22(29)27-16-23(31-14-21(27)25-28)9-10-26(15-23)12-18-6-4-8-20(11-18)30-2/h3-8,11H,9-10,12-16H2,1-2H3
InChIKeyCFFPBRMSNXGKMK-UHFFFAOYSA-N
XLogP1.98
TPSA74.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1'-[(3-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-[(3-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one?
The IUPAC name of 1'-[(3-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one (CID 165427419) is 1'-[(3-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one.
What is the SMILES notation for 1'-[(3-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one?
The canonical SMILES for 1'-[(3-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one is COc1cccc(CN2CCC3(C2)Cn2c(nn(Cc4cccc(C)n4)c2=O)CO3)c1.
What is the InChIKey of 1'-[(3-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one?
The InChIKey is CFFPBRMSNXGKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-17-5-3-7-19(24-17)13-28-22(29)27-16-23(31-14-21(27)25-28)9-10-26(15-23)12-18-6-4-8-20(11-18)30-2/h3-8,11H,9-10,12-16H2,1-2H3.
What are the key properties of 1'-[(3-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one?
1'-[(3-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one has a molecular weight of 421.50 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(3-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]spiro[5,8-dihydro-[1,2,4]triazolo[3,4-c][1,4]oxazine-6,3'-pyrrolidine]-3-one is sourced from PubChem (CID 165427419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).