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

C23H17N5O2S — CID 52936962

IUPACN-[5-(3-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2ccc3ncc(-c4cccnc4)n3c2)c1)c1ccccc1
InChIInChI=1S/C23H17N5O2S/c29-31(30,21-6-2-1-3-7-21)27-20-11-19(13-25-14-20)18-8-9-23-26-15-22(28(23)16-18)17-5-4-10-24-12-17/h1-16,27H
InChIKeyAPNFFCOFVPVTKX-UHFFFAOYSA-N
MW427.49 g/mol
LogP4.26
Rot. Bonds5

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

N-[5-(3-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 52936962) has the molecular formula C23H17N5O2S and a molecular weight of 427.49 g/mol. Its IUPAC name is N-[5-(3-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID52936962
Molecular FormulaC23H17N5O2S
Molecular Weight427.49 g/mol
Exact Mass427.11
IUPAC NameN-[5-(3-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2ccc3ncc(-c4cccnc4)n3c2)c1)c1ccccc1
InChIInChI=1S/C23H17N5O2S/c29-31(30,21-6-2-1-3-7-21)27-20-11-19(13-25-14-20)18-8-9-23-26-15-22(28(23)16-18)17-5-4-10-24-12-17/h1-16,27H
InChIKeyAPNFFCOFVPVTKX-UHFFFAOYSA-N
XLogP4.26
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(3-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide (CID 52936962) is N-[5-(3-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(3-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(3-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cncc(-c2ccc3ncc(-c4cccnc4)n3c2)c1)c1ccccc1.
What is the InChIKey of N-[5-(3-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is APNFFCOFVPVTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2S/c29-31(30,21-6-2-1-3-7-21)27-20-11-19(13-25-14-20)18-8-9-23-26-15-22(28(23)16-18)17-5-4-10-24-12-17/h1-16,27H.
What are the key properties of N-[5-(3-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide?
N-[5-(3-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 427.49 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 52936962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).