3-[2-(8-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride

C17H23ClN4OS — CID 167525520

IUPAC3-[2-(8-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
SMILESCSc1cccn2c(C(C)(C)N3CC4C(C3)C4C(N)=O)ncc12.Cl
InChIInChI=1S/C17H22N4OS.ClH/c1-17(2,20-8-10-11(9-20)14(10)15(18)22)16-19-7-12-13(23-3)5-4-6-21(12)16;/h4-7,10-11,14H,8-9H2,1-3H3,(H2,18,22);1H
InChIKeyOHEVEAYNKAKANO-UHFFFAOYSA-N
MW366.92 g/mol
LogP2.38
Rot. Bonds4

About 3-[2-(8-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride

3-[2-(8-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride (PubChem CID 167525520) has the molecular formula C17H23ClN4OS and a molecular weight of 366.92 g/mol. Its IUPAC name is 3-[2-(8-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-[2-(8-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
PubChem CID167525520
Molecular FormulaC17H23ClN4OS
Molecular Weight366.92 g/mol
Exact Mass366.13
IUPAC Name3-[2-(8-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
SMILESCSc1cccn2c(C(C)(C)N3CC4C(C3)C4C(N)=O)ncc12.Cl
InChIInChI=1S/C17H22N4OS.ClH/c1-17(2,20-8-10-11(9-20)14(10)15(18)22)16-19-7-12-13(23-3)5-4-6-21(12)16;/h4-7,10-11,14H,8-9H2,1-3H3,(H2,18,22);1H
InChIKeyOHEVEAYNKAKANO-UHFFFAOYSA-N
XLogP2.38
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.92
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(8-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
The IUPAC name of 3-[2-(8-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride (CID 167525520) is 3-[2-(8-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride.
What is the SMILES notation for 3-[2-(8-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
The canonical SMILES for 3-[2-(8-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride is CSc1cccn2c(C(C)(C)N3CC4C(C3)C4C(N)=O)ncc12.Cl.
What is the InChIKey of 3-[2-(8-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
The InChIKey is OHEVEAYNKAKANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS.ClH/c1-17(2,20-8-10-11(9-20)14(10)15(18)22)16-19-7-12-13(23-3)5-4-6-21(12)16;/h4-7,10-11,14H,8-9H2,1-3H3,(H2,18,22);1H.
What are the key properties of 3-[2-(8-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride?
3-[2-(8-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride has a molecular weight of 366.92 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(8-methylsulfanylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride is sourced from PubChem (CID 167525520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).