(5S)-5-ethyl-4-[4-(methylsulfonylmethyl)-6-[2-(propan-2-yloxymethyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one

C24H30N4O5S — CID 155401602

IUPAC(5S)-5-ethyl-4-[4-(methylsulfonylmethyl)-6-[2-(propan-2-yloxymethyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one
SMILESCC[C@H]1COCC(=O)N1c1cc(CS(C)(=O)=O)cc(-c2ccc3[nH]c(COC(C)C)cc3n2)n1
InChIInChI=1S/C24H30N4O5S/c1-5-18-12-32-13-24(29)28(18)23-9-16(14-34(4,30)31)8-21(27-23)20-7-6-19-22(26-20)10-17(25-19)11-33-15(2)3/h6-10,15,18,25H,5,11-14H2,1-4H3/t18-/m0/s1
InChIKeyRUERJQZYPBDKBA-SFHVURJKSA-N
MW486.59 g/mol
LogP3.24
Rot. Bonds8

About (5S)-5-ethyl-4-[4-(methylsulfonylmethyl)-6-[2-(propan-2-yloxymethyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one

(5S)-5-ethyl-4-[4-(methylsulfonylmethyl)-6-[2-(propan-2-yloxymethyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one (PubChem CID 155401602) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is (5S)-5-ethyl-4-[4-(methylsulfonylmethyl)-6-[2-(propan-2-yloxymethyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one.

Molecular Properties

Compound Name(5S)-5-ethyl-4-[4-(methylsulfonylmethyl)-6-[2-(propan-2-yloxymethyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one
PubChem CID155401602
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC Name(5S)-5-ethyl-4-[4-(methylsulfonylmethyl)-6-[2-(propan-2-yloxymethyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one
SMILESCC[C@H]1COCC(=O)N1c1cc(CS(C)(=O)=O)cc(-c2ccc3[nH]c(COC(C)C)cc3n2)n1
InChIInChI=1S/C24H30N4O5S/c1-5-18-12-32-13-24(29)28(18)23-9-16(14-34(4,30)31)8-21(27-23)20-7-6-19-22(26-20)10-17(25-19)11-33-15(2)3/h6-10,15,18,25H,5,11-14H2,1-4H3/t18-/m0/s1
InChIKeyRUERJQZYPBDKBA-SFHVURJKSA-N
XLogP3.24
TPSA114.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5S)-5-ethyl-4-[4-(methylsulfonylmethyl)-6-[2-(propan-2-yloxymethyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-4-[4-(methylsulfonylmethyl)-6-[2-(propan-2-yloxymethyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one?
The IUPAC name of (5S)-5-ethyl-4-[4-(methylsulfonylmethyl)-6-[2-(propan-2-yloxymethyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one (CID 155401602) is (5S)-5-ethyl-4-[4-(methylsulfonylmethyl)-6-[2-(propan-2-yloxymethyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one.
What is the SMILES notation for (5S)-5-ethyl-4-[4-(methylsulfonylmethyl)-6-[2-(propan-2-yloxymethyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one?
The canonical SMILES for (5S)-5-ethyl-4-[4-(methylsulfonylmethyl)-6-[2-(propan-2-yloxymethyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one is CC[C@H]1COCC(=O)N1c1cc(CS(C)(=O)=O)cc(-c2ccc3[nH]c(COC(C)C)cc3n2)n1.
What is the InChIKey of (5S)-5-ethyl-4-[4-(methylsulfonylmethyl)-6-[2-(propan-2-yloxymethyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one?
The InChIKey is RUERJQZYPBDKBA-SFHVURJKSA-N. The full InChI is InChI=1S/C24H30N4O5S/c1-5-18-12-32-13-24(29)28(18)23-9-16(14-34(4,30)31)8-21(27-23)20-7-6-19-22(26-20)10-17(25-19)11-33-15(2)3/h6-10,15,18,25H,5,11-14H2,1-4H3/t18-/m0/s1.
What are the key properties of (5S)-5-ethyl-4-[4-(methylsulfonylmethyl)-6-[2-(propan-2-yloxymethyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one?
(5S)-5-ethyl-4-[4-(methylsulfonylmethyl)-6-[2-(propan-2-yloxymethyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one has a molecular weight of 486.59 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-4-[4-(methylsulfonylmethyl)-6-[2-(propan-2-yloxymethyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]-2-pyridinyl]morpholin-3-one is sourced from PubChem (CID 155401602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).