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

C20H25FN4O5S2 — CID 170434758

IUPACN-[4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)cc(F)n1
InChIInChI=1S/C20H25FN4O5S2/c1-6-7-31(26,27)24-18-9-13(8-17(21)23-18)14-11-22-19-10-15(30-5)16(12-25(14)19)32(28,29)20(2,3)4/h8-12H,6-7H2,1-5H3,(H,23,24)
InChIKeyZQHIQWRPCJEZOC-UHFFFAOYSA-N
MW484.58 g/mol
LogP3.27
Rot. Bonds7

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

N-[4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]propane-1-sulfonamide (PubChem CID 170434758) has the molecular formula C20H25FN4O5S2 and a molecular weight of 484.58 g/mol. Its IUPAC name is N-[4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]propane-1-sulfonamide
PubChem CID170434758
Molecular FormulaC20H25FN4O5S2
Molecular Weight484.58 g/mol
Exact Mass484.13
IUPAC NameN-[4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)cc(F)n1
InChIInChI=1S/C20H25FN4O5S2/c1-6-7-31(26,27)24-18-9-13(8-17(21)23-18)14-11-22-19-10-15(30-5)16(12-25(14)19)32(28,29)20(2,3)4/h8-12H,6-7H2,1-5H3,(H,23,24)
InChIKeyZQHIQWRPCJEZOC-UHFFFAOYSA-N
XLogP3.27
TPSA119.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 N-[4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]propane-1-sulfonamide (CID 170434758) is N-[4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)cc(F)n1.
What is the InChIKey of N-[4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]propane-1-sulfonamide?
The InChIKey is ZQHIQWRPCJEZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O5S2/c1-6-7-31(26,27)24-18-9-13(8-17(21)23-18)14-11-22-19-10-15(30-5)16(12-25(14)19)32(28,29)20(2,3)4/h8-12H,6-7H2,1-5H3,(H,23,24).
What are the key properties of N-[4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]propane-1-sulfonamide?
N-[4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]propane-1-sulfonamide has a molecular weight of 484.58 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-6-fluoro-2-pyridinyl]propane-1-sulfonamide is sourced from PubChem (CID 170434758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).