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

C25H18N6O2S — CID 157323152

IUPACN-[5-(3-pyrrolo[1,2-a]pyrimidin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2ccc3ncc(-c4cnc5cccn5c4)n3c2)c1)c1ccccc1
InChIInChI=1S/C25H18N6O2S/c32-34(33,22-5-2-1-3-6-22)29-21-11-19(12-26-14-21)18-8-9-25-28-15-23(31(25)17-18)20-13-27-24-7-4-10-30(24)16-20/h1-17,29H
InChIKeyUTFGCYXDXDHSKV-UHFFFAOYSA-N
MW466.53 g/mol
LogP4.51
Rot. Bonds5

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

N-[5-(3-pyrrolo[1,2-a]pyrimidin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 157323152) has the molecular formula C25H18N6O2S and a molecular weight of 466.53 g/mol. Its IUPAC name is N-[5-(3-pyrrolo[1,2-a]pyrimidin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3-pyrrolo[1,2-a]pyrimidin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID157323152
Molecular FormulaC25H18N6O2S
Molecular Weight466.53 g/mol
Exact Mass466.12
IUPAC NameN-[5-(3-pyrrolo[1,2-a]pyrimidin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2ccc3ncc(-c4cnc5cccn5c4)n3c2)c1)c1ccccc1
InChIInChI=1S/C25H18N6O2S/c32-34(33,22-5-2-1-3-6-22)29-21-11-19(12-26-14-21)18-8-9-25-28-15-23(31(25)17-18)20-13-27-24-7-4-10-30(24)16-20/h1-17,29H
InChIKeyUTFGCYXDXDHSKV-UHFFFAOYSA-N
XLogP4.51
TPSA93.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 52936735
N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
CID 52936734
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzenesulfonamide
CID 695162
N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 42623384
N-[5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 42623383
N-[5-(3-pyridin-3-ylquinoxalin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 68508597
N-[5-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
CID 52947519
N-(2-chloro-5-imidazo[1,2-a]pyridin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 46913311
N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenylbenzenesulfonamide
CID 25038187
4-chloro-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
CID 11566395
N-[5-[3-(2,3-dihydrofuran-2-yl)quinoxalin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 71049428
N-(5-phenyl-3-pyridinyl)ethanesulfonamide
CID 110713738

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-pyrrolo[1,2-a]pyrimidin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(3-pyrrolo[1,2-a]pyrimidin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide (CID 157323152) is N-[5-(3-pyrrolo[1,2-a]pyrimidin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(3-pyrrolo[1,2-a]pyrimidin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(3-pyrrolo[1,2-a]pyrimidin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cncc(-c2ccc3ncc(-c4cnc5cccn5c4)n3c2)c1)c1ccccc1.
What is the InChIKey of N-[5-(3-pyrrolo[1,2-a]pyrimidin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is UTFGCYXDXDHSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N6O2S/c32-34(33,22-5-2-1-3-6-22)29-21-11-19(12-26-14-21)18-8-9-25-28-15-23(31(25)17-18)20-13-27-24-7-4-10-30(24)16-20/h1-17,29H.
What are the key properties of N-[5-(3-pyrrolo[1,2-a]pyrimidin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide?
N-[5-(3-pyrrolo[1,2-a]pyrimidin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 466.53 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-pyrrolo[1,2-a]pyrimidin-3-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 157323152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).