5-fluoro-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine

C27H35FN4O2S — CID 162735551

IUPAC5-fluoro-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine
SMILESCC(C)N1CCC(N2CCC(c3ccc4nc(-c5ccc(S(C)(=O)=O)cc5)cn4c3F)CC2)CC1
InChIInChI=1S/C27H35FN4O2S/c1-19(2)30-16-12-22(13-17-30)31-14-10-20(11-15-31)24-8-9-26-29-25(18-32(26)27(24)28)21-4-6-23(7-5-21)35(3,33)34/h4-9,18-20,22H,10-17H2,1-3H3
InChIKeyHAAFAEXKIXNRQF-UHFFFAOYSA-N
MW498.67 g/mol
LogP4.60
Rot. Bonds5

About 5-fluoro-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine

5-fluoro-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine (PubChem CID 162735551) has the molecular formula C27H35FN4O2S and a molecular weight of 498.67 g/mol. Its IUPAC name is 5-fluoro-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-fluoro-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine
PubChem CID162735551
Molecular FormulaC27H35FN4O2S
Molecular Weight498.67 g/mol
Exact Mass498.25
IUPAC Name5-fluoro-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine
SMILESCC(C)N1CCC(N2CCC(c3ccc4nc(-c5ccc(S(C)(=O)=O)cc5)cn4c3F)CC2)CC1
InChIInChI=1S/C27H35FN4O2S/c1-19(2)30-16-12-22(13-17-30)31-14-10-20(11-15-31)24-8-9-26-29-25(18-32(26)27(24)28)21-4-6-23(7-5-21)35(3,33)34/h4-9,18-20,22H,10-17H2,1-3H3
InChIKeyHAAFAEXKIXNRQF-UHFFFAOYSA-N
XLogP4.60
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.67
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine 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 5-fluoro-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 5-fluoro-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine (CID 162735551) is 5-fluoro-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-fluoro-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 5-fluoro-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine is CC(C)N1CCC(N2CCC(c3ccc4nc(-c5ccc(S(C)(=O)=O)cc5)cn4c3F)CC2)CC1.
What is the InChIKey of 5-fluoro-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine?
The InChIKey is HAAFAEXKIXNRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN4O2S/c1-19(2)30-16-12-22(13-17-30)31-14-10-20(11-15-31)24-8-9-26-29-25(18-32(26)27(24)28)21-4-6-23(7-5-21)35(3,33)34/h4-9,18-20,22H,10-17H2,1-3H3.
What are the key properties of 5-fluoro-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine?
5-fluoro-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine has a molecular weight of 498.67 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-methylsulfonylphenyl)-6-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 162735551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).