3-[(1,1-dioxothian-3-yl)methyl]imidazo[1,5-a]pyridin-7-ol

C13H16N2O3S — CID 117144291

IUPAC3-[(1,1-dioxothian-3-yl)methyl]imidazo[1,5-a]pyridin-7-ol
SMILESO=S1(=O)CCCC(Cc2ncc3cc(O)ccn23)C1
InChIInChI=1S/C13H16N2O3S/c16-12-3-4-15-11(7-12)8-14-13(15)6-10-2-1-5-19(17,18)9-10/h3-4,7-8,10,16H,1-2,5-6,9H2
InChIKeyQETQGMARBFVQRB-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.41
Rot. Bonds2

About 3-[(1,1-dioxothian-3-yl)methyl]imidazo[1,5-a]pyridin-7-ol

3-[(1,1-dioxothian-3-yl)methyl]imidazo[1,5-a]pyridin-7-ol (PubChem CID 117144291) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-[(1,1-dioxothian-3-yl)methyl]imidazo[1,5-a]pyridin-7-ol.

Molecular Properties

Compound Name3-[(1,1-dioxothian-3-yl)methyl]imidazo[1,5-a]pyridin-7-ol
PubChem CID117144291
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name3-[(1,1-dioxothian-3-yl)methyl]imidazo[1,5-a]pyridin-7-ol
SMILESO=S1(=O)CCCC(Cc2ncc3cc(O)ccn23)C1
InChIInChI=1S/C13H16N2O3S/c16-12-3-4-15-11(7-12)8-14-13(15)6-10-2-1-5-19(17,18)9-10/h3-4,7-8,10,16H,1-2,5-6,9H2
InChIKeyQETQGMARBFVQRB-UHFFFAOYSA-N
XLogP1.41
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-dioxothian-3-yl)methyl]imidazo[1,5-a]pyridin-7-ol?
The IUPAC name of 3-[(1,1-dioxothian-3-yl)methyl]imidazo[1,5-a]pyridin-7-ol (CID 117144291) is 3-[(1,1-dioxothian-3-yl)methyl]imidazo[1,5-a]pyridin-7-ol.
What is the SMILES notation for 3-[(1,1-dioxothian-3-yl)methyl]imidazo[1,5-a]pyridin-7-ol?
The canonical SMILES for 3-[(1,1-dioxothian-3-yl)methyl]imidazo[1,5-a]pyridin-7-ol is O=S1(=O)CCCC(Cc2ncc3cc(O)ccn23)C1.
What is the InChIKey of 3-[(1,1-dioxothian-3-yl)methyl]imidazo[1,5-a]pyridin-7-ol?
The InChIKey is QETQGMARBFVQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c16-12-3-4-15-11(7-12)8-14-13(15)6-10-2-1-5-19(17,18)9-10/h3-4,7-8,10,16H,1-2,5-6,9H2.
What are the key properties of 3-[(1,1-dioxothian-3-yl)methyl]imidazo[1,5-a]pyridin-7-ol?
3-[(1,1-dioxothian-3-yl)methyl]imidazo[1,5-a]pyridin-7-ol has a molecular weight of 280.35 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-dioxothian-3-yl)methyl]imidazo[1,5-a]pyridin-7-ol is sourced from PubChem (CID 117144291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).