[3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol

C13H20N2O3S — CID 117149495

IUPAC[3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
SMILESO=S1(=O)CCC(Cc2ncc3n2C(CO)CCC3)C1
InChIInChI=1S/C13H20N2O3S/c16-8-12-3-1-2-11-7-14-13(15(11)12)6-10-4-5-19(17,18)9-10/h7,10,12,16H,1-6,8-9H2
InChIKeyGCMKQQLDLHXSDI-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.73
Rot. Bonds3

About [3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol

[3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol (PubChem CID 117149495) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is [3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol.

Molecular Properties

Compound Name[3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
PubChem CID117149495
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name[3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
SMILESO=S1(=O)CCC(Cc2ncc3n2C(CO)CCC3)C1
InChIInChI=1S/C13H20N2O3S/c16-8-12-3-1-2-11-7-14-13(15(11)12)6-10-4-5-19(17,18)9-10/h7,10,12,16H,1-6,8-9H2
InChIKeyGCMKQQLDLHXSDI-UHFFFAOYSA-N
XLogP0.73
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol with MolForge

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Related Compounds

[3-(oxan-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149507
[3-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149523
[3-(pyrrolidin-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149499
[3-(oxan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149591
[3-[(1,1-dioxothian-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanol
CID 117149594
[3-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149567
[3-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149733
3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
CID 117147829
4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)thiane 1,1-dioxide
CID 117148390
[3-(3-methoxypropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol
CID 117149458
3-[(1,1-dioxothian-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine
CID 117151466
[3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
CID 117150842

Frequently Asked Questions

What is the IUPAC name of [3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol?
The IUPAC name of [3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol (CID 117149495) is [3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol.
What is the SMILES notation for [3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol?
The canonical SMILES for [3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol is O=S1(=O)CCC(Cc2ncc3n2C(CO)CCC3)C1.
What is the InChIKey of [3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol?
The InChIKey is GCMKQQLDLHXSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c16-8-12-3-1-2-11-7-14-13(15(11)12)6-10-4-5-19(17,18)9-10/h7,10,12,16H,1-6,8-9H2.
What are the key properties of [3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol?
[3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol has a molecular weight of 284.38 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1,1-dioxothiolan-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]methanol is sourced from PubChem (CID 117149495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).