2-(1-methyl-8-phenylmethoxyimidazo[1,5-a]pyridin-3-yl)sulfanylacetamide

C17H17N3O2S — CID 54280809

IUPAC2-(1-methyl-8-phenylmethoxyimidazo[1,5-a]pyridin-3-yl)sulfanylacetamide
SMILESCc1nc(SCC(N)=O)n2cccc(OCc3ccccc3)c12
InChIInChI=1S/C17H17N3O2S/c1-12-16-14(22-10-13-6-3-2-4-7-13)8-5-9-20(16)17(19-12)23-11-15(18)21/h2-9H,10-11H2,1H3,(H2,18,21)
InChIKeyRQQUWXXORBSNGU-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.80
Rot. Bonds6

About 2-(1-methyl-8-phenylmethoxyimidazo[1,5-a]pyridin-3-yl)sulfanylacetamide

2-(1-methyl-8-phenylmethoxyimidazo[1,5-a]pyridin-3-yl)sulfanylacetamide (PubChem CID 54280809) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(1-methyl-8-phenylmethoxyimidazo[1,5-a]pyridin-3-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(1-methyl-8-phenylmethoxyimidazo[1,5-a]pyridin-3-yl)sulfanylacetamide
PubChem CID54280809
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name2-(1-methyl-8-phenylmethoxyimidazo[1,5-a]pyridin-3-yl)sulfanylacetamide
SMILESCc1nc(SCC(N)=O)n2cccc(OCc3ccccc3)c12
InChIInChI=1S/C17H17N3O2S/c1-12-16-14(22-10-13-6-3-2-4-7-13)8-5-9-20(16)17(19-12)23-11-15(18)21/h2-9H,10-11H2,1H3,(H2,18,21)
InChIKeyRQQUWXXORBSNGU-UHFFFAOYSA-N
XLogP2.80
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-8-phenylmethoxyimidazo[1,5-a]pyridin-3-yl)sulfanylacetamide?
The IUPAC name of 2-(1-methyl-8-phenylmethoxyimidazo[1,5-a]pyridin-3-yl)sulfanylacetamide (CID 54280809) is 2-(1-methyl-8-phenylmethoxyimidazo[1,5-a]pyridin-3-yl)sulfanylacetamide.
What is the SMILES notation for 2-(1-methyl-8-phenylmethoxyimidazo[1,5-a]pyridin-3-yl)sulfanylacetamide?
The canonical SMILES for 2-(1-methyl-8-phenylmethoxyimidazo[1,5-a]pyridin-3-yl)sulfanylacetamide is Cc1nc(SCC(N)=O)n2cccc(OCc3ccccc3)c12.
What is the InChIKey of 2-(1-methyl-8-phenylmethoxyimidazo[1,5-a]pyridin-3-yl)sulfanylacetamide?
The InChIKey is RQQUWXXORBSNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-12-16-14(22-10-13-6-3-2-4-7-13)8-5-9-20(16)17(19-12)23-11-15(18)21/h2-9H,10-11H2,1H3,(H2,18,21).
What are the key properties of 2-(1-methyl-8-phenylmethoxyimidazo[1,5-a]pyridin-3-yl)sulfanylacetamide?
2-(1-methyl-8-phenylmethoxyimidazo[1,5-a]pyridin-3-yl)sulfanylacetamide has a molecular weight of 327.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-8-phenylmethoxyimidazo[1,5-a]pyridin-3-yl)sulfanylacetamide is sourced from PubChem (CID 54280809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).