4-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine

C24H25FN4O3S — CID 170434855

IUPAC4-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2cc(-c3cnc4ccc(S(=O)(=O)C(C)(C)C)cn34)cc(F)n2)cc1
InChIInChI=1S/C24H25FN4O3S/c1-24(2,3)33(30,31)19-9-10-23-27-14-20(29(23)15-19)17-11-21(25)28-22(12-17)26-13-16-5-7-18(32-4)8-6-16/h5-12,14-15H,13H2,1-4H3,(H,26,28)
InChIKeyYIFLUFYDAKAXGE-UHFFFAOYSA-N
MW468.55 g/mol
LogP4.73
Rot. Bonds6

About 4-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine

4-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine (PubChem CID 170434855) has the molecular formula C24H25FN4O3S and a molecular weight of 468.55 g/mol. Its IUPAC name is 4-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
PubChem CID170434855
Molecular FormulaC24H25FN4O3S
Molecular Weight468.55 g/mol
Exact Mass468.16
IUPAC Name4-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CNc2cc(-c3cnc4ccc(S(=O)(=O)C(C)(C)C)cn34)cc(F)n2)cc1
InChIInChI=1S/C24H25FN4O3S/c1-24(2,3)33(30,31)19-9-10-23-27-14-20(29(23)15-19)17-11-21(25)28-22(12-17)26-13-16-5-7-18(32-4)8-6-16/h5-12,14-15H,13H2,1-4H3,(H,26,28)
InChIKeyYIFLUFYDAKAXGE-UHFFFAOYSA-N
XLogP4.73
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of 4-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine (CID 170434855) is 4-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 4-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine is COc1ccc(CNc2cc(-c3cnc4ccc(S(=O)(=O)C(C)(C)C)cn34)cc(F)n2)cc1.
What is the InChIKey of 4-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
The InChIKey is YIFLUFYDAKAXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3S/c1-24(2,3)33(30,31)19-9-10-23-27-14-20(29(23)15-19)17-11-21(25)28-22(12-17)26-13-16-5-7-18(32-4)8-6-16/h5-12,14-15H,13H2,1-4H3,(H,26,28).
What are the key properties of 4-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine?
4-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine has a molecular weight of 468.55 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)-6-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 170434855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).