2-[(7-chloroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide

C12H13ClN2O2S — CID 117144176

IUPAC2-[(7-chloroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1Cc1ncc2cc(Cl)ccn12
InChIInChI=1S/C12H13ClN2O2S/c13-9-3-4-15-10(6-9)8-14-12(15)7-11-2-1-5-18(11,16)17/h3-4,6,8,11H,1-2,5,7H2
InChIKeyHYOBOHYRPILVQD-UHFFFAOYSA-N
MW284.77 g/mol
LogP2.11
Rot. Bonds2

About 2-[(7-chloroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide

2-[(7-chloroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide (PubChem CID 117144176) has the molecular formula C12H13ClN2O2S and a molecular weight of 284.77 g/mol. Its IUPAC name is 2-[(7-chloroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-[(7-chloroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide
PubChem CID117144176
Molecular FormulaC12H13ClN2O2S
Molecular Weight284.77 g/mol
Exact Mass284.04
IUPAC Name2-[(7-chloroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1Cc1ncc2cc(Cl)ccn12
InChIInChI=1S/C12H13ClN2O2S/c13-9-3-4-15-10(6-9)8-14-12(15)7-11-2-1-5-18(11,16)17/h3-4,6,8,11H,1-2,5,7H2
InChIKeyHYOBOHYRPILVQD-UHFFFAOYSA-N
XLogP2.11
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1,1-dioxothian-2-yl)methyl]imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117145133
7-chloro-3-[(1-methylpiperidin-3-yl)methyl]imidazo[1,5-a]pyridine
CID 117144311
7-chloro-3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,5-a]pyridine
CID 117144209
(7-chloroimidazo[1,5-a]pyridin-3-yl)methanol
CID 105440332
2-[(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide
CID 117151384
7-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine
CID 117143904
3-[(1,1-dioxothian-3-yl)methyl]imidazo[1,5-a]pyridin-7-ol
CID 117144291
3-[(1,1-dioxothiolan-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carbaldehyde
CID 117146022
2-(7-chloroimidazo[1,5-a]pyridin-3-yl)-N,N-dimethylethanamine
CID 117144867
2-(7-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine
CID 117254363
3-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-ol
CID 117151426
[3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
CID 117143267

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide?
The IUPAC name of 2-[(7-chloroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide (CID 117144176) is 2-[(7-chloroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide.
What is the SMILES notation for 2-[(7-chloroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide?
The canonical SMILES for 2-[(7-chloroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide is O=S1(=O)CCCC1Cc1ncc2cc(Cl)ccn12.
What is the InChIKey of 2-[(7-chloroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide?
The InChIKey is HYOBOHYRPILVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2S/c13-9-3-4-15-10(6-9)8-14-12(15)7-11-2-1-5-18(11,16)17/h3-4,6,8,11H,1-2,5,7H2.
What are the key properties of 2-[(7-chloroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide?
2-[(7-chloroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide has a molecular weight of 284.77 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 117144176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).