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

C25H17N5O2S — CID 52936961

IUPACN-[5-[3-(3-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESN#Cc1cccc(-c2cnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)cn23)c1
InChIInChI=1S/C25H17N5O2S/c26-13-18-5-4-6-19(11-18)24-16-28-25-10-9-20(17-30(24)25)21-12-22(15-27-14-21)29-33(31,32)23-7-2-1-3-8-23/h1-12,14-17,29H
InChIKeyFDKPMFANXHUMHE-UHFFFAOYSA-N
MW451.51 g/mol
LogP4.74
Rot. Bonds5

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

N-[5-[3-(3-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 52936961) has the molecular formula C25H17N5O2S and a molecular weight of 451.51 g/mol. Its IUPAC name is N-[5-[3-(3-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-[3-(3-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID52936961
Molecular FormulaC25H17N5O2S
Molecular Weight451.51 g/mol
Exact Mass451.11
IUPAC NameN-[5-[3-(3-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESN#Cc1cccc(-c2cnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)cn23)c1
InChIInChI=1S/C25H17N5O2S/c26-13-18-5-4-6-19(11-18)24-16-28-25-10-9-20(17-30(24)25)21-12-22(15-27-14-21)29-33(31,32)23-7-2-1-3-8-23/h1-12,14-17,29H
InChIKeyFDKPMFANXHUMHE-UHFFFAOYSA-N
XLogP4.74
TPSA100.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(3-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-[3-(3-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide (CID 52936961) is N-[5-[3-(3-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-[3-(3-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-[3-(3-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is N#Cc1cccc(-c2cnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)cn23)c1.
What is the InChIKey of N-[5-[3-(3-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is FDKPMFANXHUMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N5O2S/c26-13-18-5-4-6-19(11-18)24-16-28-25-10-9-20(17-30(24)25)21-12-22(15-27-14-21)29-33(31,32)23-7-2-1-3-8-23/h1-12,14-17,29H.
What are the key properties of N-[5-[3-(3-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide?
N-[5-[3-(3-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 451.51 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(3-cyanophenyl)imidazo[1,2-a]pyridin-6-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 52936961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).