(5R)-5-[(5R,6R)-5-methoxy-2-methylsulfonyl-2-azaspiro[3.4]octan-6-yl]-5H-imidazo[5,1-a]isoindole

C19H23N3O3S — CID 163544588

IUPAC(5R)-5-[(5R,6R)-5-methoxy-2-methylsulfonyl-2-azaspiro[3.4]octan-6-yl]-5H-imidazo[5,1-a]isoindole
SMILESCO[C@@H]1[C@@H]([C@@H]2c3ccccc3-c3cncn32)CCC12CN(S(C)(=O)=O)C2
InChIInChI=1S/C19H23N3O3S/c1-25-18-15(7-8-19(18)10-21(11-19)26(2,23)24)17-14-6-4-3-5-13(14)16-9-20-12-22(16)17/h3-6,9,12,15,17-18H,7-8,10-11H2,1-2H3/t15-,17+,18-/m1/s1
InChIKeyFDYFPGXJWBYTQM-BPQIPLTHSA-N
MW373.48 g/mol
LogP2.14
Rot. Bonds3

About (5R)-5-[(5R,6R)-5-methoxy-2-methylsulfonyl-2-azaspiro[3.4]octan-6-yl]-5H-imidazo[5,1-a]isoindole

(5R)-5-[(5R,6R)-5-methoxy-2-methylsulfonyl-2-azaspiro[3.4]octan-6-yl]-5H-imidazo[5,1-a]isoindole (PubChem CID 163544588) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (5R)-5-[(5R,6R)-5-methoxy-2-methylsulfonyl-2-azaspiro[3.4]octan-6-yl]-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name(5R)-5-[(5R,6R)-5-methoxy-2-methylsulfonyl-2-azaspiro[3.4]octan-6-yl]-5H-imidazo[5,1-a]isoindole
PubChem CID163544588
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(5R)-5-[(5R,6R)-5-methoxy-2-methylsulfonyl-2-azaspiro[3.4]octan-6-yl]-5H-imidazo[5,1-a]isoindole
SMILESCO[C@@H]1[C@@H]([C@@H]2c3ccccc3-c3cncn32)CCC12CN(S(C)(=O)=O)C2
InChIInChI=1S/C19H23N3O3S/c1-25-18-15(7-8-19(18)10-21(11-19)26(2,23)24)17-14-6-4-3-5-13(14)16-9-20-12-22(16)17/h3-6,9,12,15,17-18H,7-8,10-11H2,1-2H3/t15-,17+,18-/m1/s1
InChIKeyFDYFPGXJWBYTQM-BPQIPLTHSA-N
XLogP2.14
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5R,6R)-5-methoxy-2-methylsulfonyl-2-azaspiro[3.4]octan-6-yl]-5H-imidazo[5,1-a]isoindole?
The IUPAC name of (5R)-5-[(5R,6R)-5-methoxy-2-methylsulfonyl-2-azaspiro[3.4]octan-6-yl]-5H-imidazo[5,1-a]isoindole (CID 163544588) is (5R)-5-[(5R,6R)-5-methoxy-2-methylsulfonyl-2-azaspiro[3.4]octan-6-yl]-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for (5R)-5-[(5R,6R)-5-methoxy-2-methylsulfonyl-2-azaspiro[3.4]octan-6-yl]-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for (5R)-5-[(5R,6R)-5-methoxy-2-methylsulfonyl-2-azaspiro[3.4]octan-6-yl]-5H-imidazo[5,1-a]isoindole is CO[C@@H]1[C@@H]([C@@H]2c3ccccc3-c3cncn32)CCC12CN(S(C)(=O)=O)C2.
What is the InChIKey of (5R)-5-[(5R,6R)-5-methoxy-2-methylsulfonyl-2-azaspiro[3.4]octan-6-yl]-5H-imidazo[5,1-a]isoindole?
The InChIKey is FDYFPGXJWBYTQM-BPQIPLTHSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-25-18-15(7-8-19(18)10-21(11-19)26(2,23)24)17-14-6-4-3-5-13(14)16-9-20-12-22(16)17/h3-6,9,12,15,17-18H,7-8,10-11H2,1-2H3/t15-,17+,18-/m1/s1.
What are the key properties of (5R)-5-[(5R,6R)-5-methoxy-2-methylsulfonyl-2-azaspiro[3.4]octan-6-yl]-5H-imidazo[5,1-a]isoindole?
(5R)-5-[(5R,6R)-5-methoxy-2-methylsulfonyl-2-azaspiro[3.4]octan-6-yl]-5H-imidazo[5,1-a]isoindole has a molecular weight of 373.48 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(5R,6R)-5-methoxy-2-methylsulfonyl-2-azaspiro[3.4]octan-6-yl]-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 163544588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).