N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

C18H23N3O3 — CID 91785057

IUPACN-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCOC[C@H]1[C@@H](NC(=O)Cc2cnc3c(C)cccn23)[C@@H]2CCO[C@@H]21
InChIInChI=1S/C18H23N3O3/c1-11-4-3-6-21-12(9-19-18(11)21)8-15(22)20-16-13-5-7-24-17(13)14(16)10-23-2/h3-4,6,9,13-14,16-17H,5,7-8,10H2,1-2H3,(H,20,22)/t13-,14-,16-,17-/m0/s1
InChIKeySNFURIKQGYDTDT-OTRWWLKZSA-N
MW329.40 g/mol
LogP1.35
Rot. Bonds5

About N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide (PubChem CID 91785057) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
PubChem CID91785057
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCOC[C@H]1[C@@H](NC(=O)Cc2cnc3c(C)cccn23)[C@@H]2CCO[C@@H]21
InChIInChI=1S/C18H23N3O3/c1-11-4-3-6-21-12(9-19-18(11)21)8-15(22)20-16-13-5-7-24-17(13)14(16)10-23-2/h3-4,6,9,13-14,16-17H,5,7-8,10H2,1-2H3,(H,20,22)/t13-,14-,16-,17-/m0/s1
InChIKeySNFURIKQGYDTDT-OTRWWLKZSA-N
XLogP1.35
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide?
The IUPAC name of N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide (CID 91785057) is N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide.
What is the SMILES notation for N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide?
The canonical SMILES for N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide is COC[C@H]1[C@@H](NC(=O)Cc2cnc3c(C)cccn23)[C@@H]2CCO[C@@H]21.
What is the InChIKey of N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide?
The InChIKey is SNFURIKQGYDTDT-OTRWWLKZSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11-4-3-6-21-12(9-19-18(11)21)8-15(22)20-16-13-5-7-24-17(13)14(16)10-23-2/h3-4,6,9,13-14,16-17H,5,7-8,10H2,1-2H3,(H,20,22)/t13-,14-,16-,17-/m0/s1.
What are the key properties of N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide?
N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide has a molecular weight of 329.40 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S,6S,7R)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide is sourced from PubChem (CID 91785057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).