N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide

C20H27N3O2S — CID 99810319

IUPACN-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCCO[C@@H]1C[C@H](N(C)C(=O)c2nc(SC)n3ccccc23)C12CCCC2
InChIInChI=1S/C20H27N3O2S/c1-4-25-16-13-15(20(16)10-6-7-11-20)22(2)18(24)17-14-9-5-8-12-23(14)19(21-17)26-3/h5,8-9,12,15-16H,4,6-7,10-11,13H2,1-3H3/t15-,16+/m0/s1
InChIKeyZGMGQURQRMKMIK-JKSUJKDBSA-N
MW373.52 g/mol
LogP3.87
Rot. Bonds5

About N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide

N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 99810319) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID99810319
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCCO[C@@H]1C[C@H](N(C)C(=O)c2nc(SC)n3ccccc23)C12CCCC2
InChIInChI=1S/C20H27N3O2S/c1-4-25-16-13-15(20(16)10-6-7-11-20)22(2)18(24)17-14-9-5-8-12-23(14)19(21-17)26-3/h5,8-9,12,15-16H,4,6-7,10-11,13H2,1-3H3/t15-,16+/m0/s1
InChIKeyZGMGQURQRMKMIK-JKSUJKDBSA-N
XLogP3.87
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide (CID 99810319) is N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide is CCO[C@@H]1C[C@H](N(C)C(=O)c2nc(SC)n3ccccc23)C12CCCC2.
What is the InChIKey of N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is ZGMGQURQRMKMIK-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-4-25-16-13-15(20(16)10-6-7-11-20)22(2)18(24)17-14-9-5-8-12-23(14)19(21-17)26-3/h5,8-9,12,15-16H,4,6-7,10-11,13H2,1-3H3/t15-,16+/m0/s1.
What are the key properties of N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide?
N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-N-methyl-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 99810319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).