[3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine

C12H15N3O2S — CID 117143267

IUPAC[3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
SMILESNCc1ccn2c(C3CCCS3(=O)=O)ncc2c1
InChIInChI=1S/C12H15N3O2S/c13-7-9-3-4-15-10(6-9)8-14-12(15)11-2-1-5-18(11,16)17/h3-4,6,8,11H,1-2,5,7,13H2
InChIKeyLMTFNURXNPPLKE-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.04
Rot. Bonds2

About [3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine

[3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine (PubChem CID 117143267) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is [3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine.

Molecular Properties

Compound Name[3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
PubChem CID117143267
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name[3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
SMILESNCc1ccn2c(C3CCCS3(=O)=O)ncc2c1
InChIInChI=1S/C12H15N3O2S/c13-7-9-3-4-15-10(6-9)8-14-12(15)11-2-1-5-18(11,16)17/h3-4,6,8,11H,1-2,5,7,13H2
InChIKeyLMTFNURXNPPLKE-UHFFFAOYSA-N
XLogP1.04
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-cyclohexylimidazo[1,5-a]pyridin-7-yl)methanamine
CID 83840212
[3-(thiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
CID 117143269
methyl 3-(1,1-dioxothian-2-yl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117145079
[3-(oxan-4-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
CID 117143209
[3-(1-methylpyrrolidin-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
CID 117143272
[3-(oxan-3-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
CID 117143251
[3-(thiolan-3-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
CID 117143199
2-(6-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide
CID 117139062
[3-(1-ethylpyrrolidin-3-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
CID 117143205
3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde
CID 117138519
2-(5-chloroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide
CID 117141533
2-(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)thiolane 1,1-dioxide
CID 117151307

Frequently Asked Questions

What is the IUPAC name of [3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine?
The IUPAC name of [3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine (CID 117143267) is [3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine.
What is the SMILES notation for [3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine?
The canonical SMILES for [3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine is NCc1ccn2c(C3CCCS3(=O)=O)ncc2c1.
What is the InChIKey of [3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine?
The InChIKey is LMTFNURXNPPLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c13-7-9-3-4-15-10(6-9)8-14-12(15)11-2-1-5-18(11,16)17/h3-4,6,8,11H,1-2,5,7,13H2.
What are the key properties of [3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine?
[3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine has a molecular weight of 265.34 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine is sourced from PubChem (CID 117143267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).