N,N-dimethyl-3-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide

C17H17N7O2S — CID 58873938

IUPACN,N-dimethyl-3-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(Nc2nccn3c(-c4cn[nH]c4)cnc23)c1
InChIInChI=1S/C17H17N7O2S/c1-23(2)27(25,26)14-5-3-4-13(8-14)22-16-17-19-11-15(12-9-20-21-10-12)24(17)7-6-18-16/h3-11H,1-2H3,(H,18,22)(H,20,21)
InChIKeyXTFRYRLNHGSERN-UHFFFAOYSA-N
MW383.44 g/mol
LogP2.11
Rot. Bonds5

About N,N-dimethyl-3-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide

N,N-dimethyl-3-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide (PubChem CID 58873938) has the molecular formula C17H17N7O2S and a molecular weight of 383.44 g/mol. Its IUPAC name is N,N-dimethyl-3-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide
PubChem CID58873938
Molecular FormulaC17H17N7O2S
Molecular Weight383.44 g/mol
Exact Mass383.12
IUPAC NameN,N-dimethyl-3-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(Nc2nccn3c(-c4cn[nH]c4)cnc23)c1
InChIInChI=1S/C17H17N7O2S/c1-23(2)27(25,26)14-5-3-4-13(8-14)22-16-17-19-11-15(12-9-20-21-10-12)24(17)7-6-18-16/h3-11H,1-2H3,(H,18,22)(H,20,21)
InChIKeyXTFRYRLNHGSERN-UHFFFAOYSA-N
XLogP2.11
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide (CID 58873938) is N,N-dimethyl-3-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide is CN(C)S(=O)(=O)c1cccc(Nc2nccn3c(-c4cn[nH]c4)cnc23)c1.
What is the InChIKey of N,N-dimethyl-3-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide?
The InChIKey is XTFRYRLNHGSERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O2S/c1-23(2)27(25,26)14-5-3-4-13(8-14)22-16-17-19-11-15(12-9-20-21-10-12)24(17)7-6-18-16/h3-11H,1-2H3,(H,18,22)(H,20,21).
What are the key properties of N,N-dimethyl-3-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide?
N,N-dimethyl-3-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide has a molecular weight of 383.44 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfonamide is sourced from PubChem (CID 58873938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).