4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine

C21H25FN4O4S — CID 170616500

IUPAC4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine
SMILESCOc1cc2ncc(-c3ccc(N4CCOCC4)nc3F)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C21H25FN4O4S/c1-21(2,3)31(27,28)17-13-26-15(12-23-19(26)11-16(17)29-4)14-5-6-18(24-20(14)22)25-7-9-30-10-8-25/h5-6,11-13H,7-10H2,1-4H3
InChIKeyIPSSERRSGYUKHH-UHFFFAOYSA-N
MW448.52 g/mol
LogP2.95
Rot. Bonds4

About 4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine

4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine (PubChem CID 170616500) has the molecular formula C21H25FN4O4S and a molecular weight of 448.52 g/mol. Its IUPAC name is 4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine
PubChem CID170616500
Molecular FormulaC21H25FN4O4S
Molecular Weight448.52 g/mol
Exact Mass448.16
IUPAC Name4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine
SMILESCOc1cc2ncc(-c3ccc(N4CCOCC4)nc3F)n2cc1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C21H25FN4O4S/c1-21(2,3)31(27,28)17-13-26-15(12-23-19(26)11-16(17)29-4)14-5-6-18(24-20(14)22)25-7-9-30-10-8-25/h5-6,11-13H,7-10H2,1-4H3
InChIKeyIPSSERRSGYUKHH-UHFFFAOYSA-N
XLogP2.95
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine 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 4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine (CID 170616500) is 4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine is COc1cc2ncc(-c3ccc(N4CCOCC4)nc3F)n2cc1S(=O)(=O)C(C)(C)C.
What is the InChIKey of 4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine?
The InChIKey is IPSSERRSGYUKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O4S/c1-21(2,3)31(27,28)17-13-26-15(12-23-19(26)11-16(17)29-4)14-5-6-18(24-20(14)22)25-7-9-30-10-8-25/h5-6,11-13H,7-10H2,1-4H3.
What are the key properties of 4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine?
4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine has a molecular weight of 448.52 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]morpholine is sourced from PubChem (CID 170616500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).