[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone;hydrochloride

C15H19ClN4O3S — CID 120657041

IUPAC[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone;hydrochloride
SMILESCS(=O)(=O)c1nc(C(=O)N2C[C@H]3CNC[C@H]3C2)c2ccccn12.Cl
InChIInChI=1S/C15H18N4O3S.ClH/c1-23(21,22)15-17-13(12-4-2-3-5-19(12)15)14(20)18-8-10-6-16-7-11(10)9-18;/h2-5,10-11,16H,6-9H2,1H3;1H/t10-,11+;
InChIKeySQDCIANIKCFARE-NJJJQDLFSA-N
MW370.86 g/mol
LogP0.45
Rot. Bonds2

About [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone;hydrochloride

[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone;hydrochloride (PubChem CID 120657041) has the molecular formula C15H19ClN4O3S and a molecular weight of 370.86 g/mol. Its IUPAC name is [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone;hydrochloride
PubChem CID120657041
Molecular FormulaC15H19ClN4O3S
Molecular Weight370.86 g/mol
Exact Mass370.09
IUPAC Name[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone;hydrochloride
SMILESCS(=O)(=O)c1nc(C(=O)N2C[C@H]3CNC[C@H]3C2)c2ccccn12.Cl
InChIInChI=1S/C15H18N4O3S.ClH/c1-23(21,22)15-17-13(12-4-2-3-5-19(12)15)14(20)18-8-10-6-16-7-11(10)9-18;/h2-5,10-11,16H,6-9H2,1H3;1H/t10-,11+;
InChIKeySQDCIANIKCFARE-NJJJQDLFSA-N
XLogP0.45
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone;hydrochloride with MolForge

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Related Compounds

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N-(4-aminocyclohexyl)-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone;hydrochloride?
The IUPAC name of [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone;hydrochloride (CID 120657041) is [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone;hydrochloride?
The canonical SMILES for [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone;hydrochloride is CS(=O)(=O)c1nc(C(=O)N2C[C@H]3CNC[C@H]3C2)c2ccccn12.Cl.
What is the InChIKey of [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone;hydrochloride?
The InChIKey is SQDCIANIKCFARE-NJJJQDLFSA-N. The full InChI is InChI=1S/C15H18N4O3S.ClH/c1-23(21,22)15-17-13(12-4-2-3-5-19(12)15)14(20)18-8-10-6-16-7-11(10)9-18;/h2-5,10-11,16H,6-9H2,1H3;1H/t10-,11+;.
What are the key properties of [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone;hydrochloride?
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone;hydrochloride has a molecular weight of 370.86 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120657041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).