4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide

C22H16FN5O2S — CID 22031816

IUPAC4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cn23)cc1
InChIInChI=1S/C22H16FN5O2S/c23-17-6-1-15(2-7-17)22-19(11-26-27-22)16-5-10-21-25-12-20(28(21)13-16)14-3-8-18(9-4-14)31(24,29)30/h1-13H,(H,26,27)(H2,24,29,30)
InChIKeyKOLGYQNTHGRLLG-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.84
Rot. Bonds4

About 4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide

4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide (PubChem CID 22031816) has the molecular formula C22H16FN5O2S and a molecular weight of 433.47 g/mol. Its IUPAC name is 4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide
PubChem CID22031816
Molecular FormulaC22H16FN5O2S
Molecular Weight433.47 g/mol
Exact Mass433.10
IUPAC Name4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cn23)cc1
InChIInChI=1S/C22H16FN5O2S/c23-17-6-1-15(2-7-17)22-19(11-26-27-22)16-5-10-21-25-12-20(28(21)13-16)14-3-8-18(9-4-14)31(24,29)30/h1-13H,(H,26,27)(H2,24,29,30)
InChIKeyKOLGYQNTHGRLLG-UHFFFAOYSA-N
XLogP3.84
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide?
The IUPAC name of 4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide (CID 22031816) is 4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cn23)cc1.
What is the InChIKey of 4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide?
The InChIKey is KOLGYQNTHGRLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5O2S/c23-17-6-1-15(2-7-17)22-19(11-26-27-22)16-5-10-21-25-12-20(28(21)13-16)14-3-8-18(9-4-14)31(24,29)30/h1-13H,(H,26,27)(H2,24,29,30).
What are the key properties of 4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide?
4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide has a molecular weight of 433.47 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]benzenesulfonamide is sourced from PubChem (CID 22031816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).