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

C21H25F3N4O6S2 — CID 170434993

IUPACN-[6-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethoxy)-2-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)ccc1OC(F)(F)F
InChIInChI=1S/C21H25F3N4O6S2/c1-6-9-35(29,30)27-19-15(34-21(22,23)24)8-7-13(26-19)14-11-25-18-10-16(33-5)17(12-28(14)18)36(31,32)20(2,3)4/h7-8,10-12H,6,9H2,1-5H3,(H,26,27)
InChIKeyPFRZZPCCIBFNGP-UHFFFAOYSA-N
MW550.58 g/mol
LogP4.03
Rot. Bonds8

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

N-[6-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethoxy)-2-pyridinyl]propane-1-sulfonamide (PubChem CID 170434993) has the molecular formula C21H25F3N4O6S2 and a molecular weight of 550.58 g/mol. Its IUPAC name is N-[6-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethoxy)-2-pyridinyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[6-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethoxy)-2-pyridinyl]propane-1-sulfonamide
PubChem CID170434993
Molecular FormulaC21H25F3N4O6S2
Molecular Weight550.58 g/mol
Exact Mass550.12
IUPAC NameN-[6-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethoxy)-2-pyridinyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1nc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)ccc1OC(F)(F)F
InChIInChI=1S/C21H25F3N4O6S2/c1-6-9-35(29,30)27-19-15(34-21(22,23)24)8-7-13(26-19)14-11-25-18-10-16(33-5)17(12-28(14)18)36(31,32)20(2,3)4/h7-8,10-12H,6,9H2,1-5H3,(H,26,27)
InChIKeyPFRZZPCCIBFNGP-UHFFFAOYSA-N
XLogP4.03
TPSA128.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.58
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-[(1,1-Dimethylethyl)sulfonyl]-7-methoxy-3-(4-methoxyphenyl)imidazo[1,2-a]pyridine
CID 145954774
6-Tert-butylsulfonyl-7-methoxy-3-(3-methoxyphenyl)imidazo[1,2-a]pyridine
CID 145959394
US10479795, Example 485
CID 132260503
US20250346593, Example 304
CID 170434758
US20250346593, Example 302
CID 170434806
US20250346593, Example 168
CID 170434855
US20250346593, Example 2
CID 170435729
US20250346593, Example 61
CID 170616376
US20250346593, Example 154
CID 170616415
US20250346593, Example 82
CID 170616445
US20250346593, Example 63
CID 170616537
US20250346593, Example 329
CID 172631549

Frequently Asked Questions

What is the IUPAC name of N-[6-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethoxy)-2-pyridinyl]propane-1-sulfonamide?
The IUPAC name of N-[6-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethoxy)-2-pyridinyl]propane-1-sulfonamide (CID 170434993) is N-[6-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethoxy)-2-pyridinyl]propane-1-sulfonamide.
What is the SMILES notation for N-[6-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethoxy)-2-pyridinyl]propane-1-sulfonamide?
The canonical SMILES for N-[6-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethoxy)-2-pyridinyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1nc(-c2cnc3cc(OC)c(S(=O)(=O)C(C)(C)C)cn23)ccc1OC(F)(F)F.
What is the InChIKey of N-[6-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethoxy)-2-pyridinyl]propane-1-sulfonamide?
The InChIKey is PFRZZPCCIBFNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O6S2/c1-6-9-35(29,30)27-19-15(34-21(22,23)24)8-7-13(26-19)14-11-25-18-10-16(33-5)17(12-28(14)18)36(31,32)20(2,3)4/h7-8,10-12H,6,9H2,1-5H3,(H,26,27).
What are the key properties of N-[6-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethoxy)-2-pyridinyl]propane-1-sulfonamide?
N-[6-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethoxy)-2-pyridinyl]propane-1-sulfonamide has a molecular weight of 550.58 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethoxy)-2-pyridinyl]propane-1-sulfonamide is sourced from PubChem (CID 170434993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).