N-[2-(diethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfinamide

C21H26N8OS — CID 143578182

IUPACN-[2-(diethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfinamide
SMILESCCN(CC)CCNS(=O)c1ccc(Nc2ncc(-c3cn[nH]c3)n3ccnc23)cc1
InChIInChI=1S/C21H26N8OS/c1-3-28(4-2)11-10-26-31(30)18-7-5-17(6-8-18)27-20-21-22-9-12-29(21)19(15-23-20)16-13-24-25-14-16/h5-9,12-15,26H,3-4,10-11H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyPYNVVQNWPVCYCP-UHFFFAOYSA-N
MW438.56 g/mol
LogP2.82
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfinamide

N-[2-(diethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfinamide (PubChem CID 143578182) has the molecular formula C21H26N8OS and a molecular weight of 438.56 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfinamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfinamide
PubChem CID143578182
Molecular FormulaC21H26N8OS
Molecular Weight438.56 g/mol
Exact Mass438.20
IUPAC NameN-[2-(diethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfinamide
SMILESCCN(CC)CCNS(=O)c1ccc(Nc2ncc(-c3cn[nH]c3)n3ccnc23)cc1
InChIInChI=1S/C21H26N8OS/c1-3-28(4-2)11-10-26-31(30)18-7-5-17(6-8-18)27-20-21-22-9-12-29(21)19(15-23-20)16-13-24-25-14-16/h5-9,12-15,26H,3-4,10-11H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyPYNVVQNWPVCYCP-UHFFFAOYSA-N
XLogP2.82
TPSA103.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfinamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfinamide (CID 143578182) is N-[2-(diethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfinamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfinamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfinamide is CCN(CC)CCNS(=O)c1ccc(Nc2ncc(-c3cn[nH]c3)n3ccnc23)cc1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfinamide?
The InChIKey is PYNVVQNWPVCYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8OS/c1-3-28(4-2)11-10-26-31(30)18-7-5-17(6-8-18)27-20-21-22-9-12-29(21)19(15-23-20)16-13-24-25-14-16/h5-9,12-15,26H,3-4,10-11H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of N-[2-(diethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfinamide?
N-[2-(diethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfinamide has a molecular weight of 438.56 g/mol, XLogP of 2.82, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzenesulfinamide is sourced from PubChem (CID 143578182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).