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

C21H16N6O2S — CID 52936957

IUPACN-[5-[3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2ccc3ncc(-c4ccn[nH]4)n3c2)c1)c1ccccc1
InChIInChI=1S/C21H16N6O2S/c28-30(29,18-4-2-1-3-5-18)26-17-10-16(11-22-12-17)15-6-7-21-23-13-20(27(21)14-15)19-8-9-24-25-19/h1-14,26H,(H,24,25)
InChIKeySFUBWYCFOGBQIV-UHFFFAOYSA-N
MW416.47 g/mol
LogP3.59
Rot. Bonds5

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

N-[5-[3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 52936957) has the molecular formula C21H16N6O2S and a molecular weight of 416.47 g/mol. Its IUPAC name is N-[5-[3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-[3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID52936957
Molecular FormulaC21H16N6O2S
Molecular Weight416.47 g/mol
Exact Mass416.11
IUPAC NameN-[5-[3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2ccc3ncc(-c4ccn[nH]4)n3c2)c1)c1ccccc1
InChIInChI=1S/C21H16N6O2S/c28-30(29,18-4-2-1-3-5-18)26-17-10-16(11-22-12-17)15-6-7-21-23-13-20(27(21)14-15)19-8-9-24-25-19/h1-14,26H,(H,24,25)
InChIKeySFUBWYCFOGBQIV-UHFFFAOYSA-N
XLogP3.59
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-[3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (CID 52936957) is N-[5-[3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-[3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-[3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cncc(-c2ccc3ncc(-c4ccn[nH]4)n3c2)c1)c1ccccc1.
What is the InChIKey of N-[5-[3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is SFUBWYCFOGBQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O2S/c28-30(29,18-4-2-1-3-5-18)26-17-10-16(11-22-12-17)15-6-7-21-23-13-20(27(21)14-15)19-8-9-24-25-19/h1-14,26H,(H,24,25).
What are the key properties of N-[5-[3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
N-[5-[3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 416.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 52936957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).