N-[4-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]-6-chloro-2-pyridinyl]benzamide

C24H16ClN5O3S — CID 87181084

IUPACN-[4-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]-6-chloro-2-pyridinyl]benzamide
SMILESO=C(Nc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3nccnc23)cc(Cl)n1)c1ccccc1
InChIInChI=1S/C24H16ClN5O3S/c25-20-13-17(14-21(28-20)29-24(31)16-7-3-1-4-8-16)19-15-30(23-22(19)26-11-12-27-23)34(32,33)18-9-5-2-6-10-18/h1-15H,(H,28,29,31)
InChIKeyFMOMYNUSURUJFH-UHFFFAOYSA-N
MW489.94 g/mol
LogP4.64
Rot. Bonds5

About N-[4-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]-6-chloro-2-pyridinyl]benzamide

N-[4-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]-6-chloro-2-pyridinyl]benzamide (PubChem CID 87181084) has the molecular formula C24H16ClN5O3S and a molecular weight of 489.94 g/mol. Its IUPAC name is N-[4-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]-6-chloro-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[4-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]-6-chloro-2-pyridinyl]benzamide
PubChem CID87181084
Molecular FormulaC24H16ClN5O3S
Molecular Weight489.94 g/mol
Exact Mass489.07
IUPAC NameN-[4-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]-6-chloro-2-pyridinyl]benzamide
SMILESO=C(Nc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3nccnc23)cc(Cl)n1)c1ccccc1
InChIInChI=1S/C24H16ClN5O3S/c25-20-13-17(14-21(28-20)29-24(31)16-7-3-1-4-8-16)19-15-30(23-22(19)26-11-12-27-23)34(32,33)18-9-5-2-6-10-18/h1-15H,(H,28,29,31)
InChIKeyFMOMYNUSURUJFH-UHFFFAOYSA-N
XLogP4.64
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.94
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[4-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]-6-chloro-2-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(benzenesulfonyl)-2-bromopyrrolo[2,3-b]pyrazin-7-yl]-6-chloro-N-cyclohexylpyridin-2-amine
CID 87180496
4-[5-(6-amino-3-pyridinyl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-chloro-N-cyclohexylpyridin-2-amine
CID 87192195
tert-butyl N-[4-[[4-[1-(benzenesulfonyl)-5-prop-2-ynoxypyrrolo[2,3-b]pyridin-3-yl]-6-chloro-2-pyridinyl]amino]cyclohexyl]carbamate
CID 123946310
4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine
CID 67330242
2,4-bis[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pentan-3-one
CID 174632691
methyl 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-3-carboxylate
CID 15866752
N-(2,6-diphenylpyrimidin-4-yl)benzamide
CID 11245073
1-(benzenesulfonyl)-6-chloropyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 155342158
N-(6-chloropyridazin-3-yl)benzamide
CID 13125576
4-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-6-piperidin-1-ylpyridine-2-carbonitrile
CID 66888894
N-[[6-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]methyl]-4-chloroaniline
CID 141161136
2-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(4-phenylphenyl)-6-(trifluoromethyl)quinoline
CID 57337843

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]-6-chloro-2-pyridinyl]benzamide?
The IUPAC name of N-[4-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]-6-chloro-2-pyridinyl]benzamide (CID 87181084) is N-[4-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]-6-chloro-2-pyridinyl]benzamide.
What is the SMILES notation for N-[4-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]-6-chloro-2-pyridinyl]benzamide?
The canonical SMILES for N-[4-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]-6-chloro-2-pyridinyl]benzamide is O=C(Nc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3nccnc23)cc(Cl)n1)c1ccccc1.
What is the InChIKey of N-[4-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]-6-chloro-2-pyridinyl]benzamide?
The InChIKey is FMOMYNUSURUJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN5O3S/c25-20-13-17(14-21(28-20)29-24(31)16-7-3-1-4-8-16)19-15-30(23-22(19)26-11-12-27-23)34(32,33)18-9-5-2-6-10-18/h1-15H,(H,28,29,31).
What are the key properties of N-[4-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]-6-chloro-2-pyridinyl]benzamide?
N-[4-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]-6-chloro-2-pyridinyl]benzamide has a molecular weight of 489.94 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(benzenesulfonyl)pyrrolo[2,3-b]pyrazin-7-yl]-6-chloro-2-pyridinyl]benzamide is sourced from PubChem (CID 87181084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).