N-[5-(3-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide

C22H21N5O3S — CID 52936959

IUPACN-[5-(3-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2ccc3ncc(N4CCOCC4)n3c2)c1)c1ccccc1
InChIInChI=1S/C22H21N5O3S/c28-31(29,20-4-2-1-3-5-20)25-19-12-18(13-23-14-19)17-6-7-21-24-15-22(27(21)16-17)26-8-10-30-11-9-26/h1-7,12-16,25H,8-11H2
InChIKeyPOFAWQBJNGTGFN-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.03
Rot. Bonds5

About N-[5-(3-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide

N-[5-(3-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 52936959) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[5-(3-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID52936959
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC NameN-[5-(3-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2ccc3ncc(N4CCOCC4)n3c2)c1)c1ccccc1
InChIInChI=1S/C22H21N5O3S/c28-31(29,20-4-2-1-3-5-20)25-19-12-18(13-23-14-19)17-6-7-21-24-15-22(27(21)16-17)26-8-10-30-11-9-26/h1-7,12-16,25H,8-11H2
InChIKeyPOFAWQBJNGTGFN-UHFFFAOYSA-N
XLogP3.03
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(3-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide (CID 52936959) is N-[5-(3-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(3-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(3-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cncc(-c2ccc3ncc(N4CCOCC4)n3c2)c1)c1ccccc1.
What is the InChIKey of N-[5-(3-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is POFAWQBJNGTGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c28-31(29,20-4-2-1-3-5-20)25-19-12-18(13-23-14-19)17-6-7-21-24-15-22(27(21)16-17)26-8-10-30-11-9-26/h1-7,12-16,25H,8-11H2.
What are the key properties of N-[5-(3-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide?
N-[5-(3-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 435.51 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 52936959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).