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

C20H22N8O — CID 24857007

IUPACN-[2-(ethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
SMILESCCNCCNC(=O)c1ccc(Nc2ncc(-c3cn[nH]c3)n3ccnc23)cc1
InChIInChI=1S/C20H22N8O/c1-2-21-7-8-23-20(29)14-3-5-16(6-4-14)27-18-19-22-9-10-28(19)17(13-24-18)15-11-25-26-12-15/h3-6,9-13,21H,2,7-8H2,1H3,(H,23,29)(H,24,27)(H,25,26)
InChIKeyVBWIDYTWNTYFFO-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.20
Rot. Bonds8

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

N-[2-(ethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide (PubChem CID 24857007) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
PubChem CID24857007
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC NameN-[2-(ethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
SMILESCCNCCNC(=O)c1ccc(Nc2ncc(-c3cn[nH]c3)n3ccnc23)cc1
InChIInChI=1S/C20H22N8O/c1-2-21-7-8-23-20(29)14-3-5-16(6-4-14)27-18-19-22-9-10-28(19)17(13-24-18)15-11-25-26-12-15/h3-6,9-13,21H,2,7-8H2,1H3,(H,23,29)(H,24,27)(H,25,26)
InChIKeyVBWIDYTWNTYFFO-UHFFFAOYSA-N
XLogP2.20
TPSA112.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide (CID 24857007) is N-[2-(ethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide is CCNCCNC(=O)c1ccc(Nc2ncc(-c3cn[nH]c3)n3ccnc23)cc1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide?
The InChIKey is VBWIDYTWNTYFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O/c1-2-21-7-8-23-20(29)14-3-5-16(6-4-14)27-18-19-22-9-10-28(19)17(13-24-18)15-11-25-26-12-15/h3-6,9-13,21H,2,7-8H2,1H3,(H,23,29)(H,24,27)(H,25,26).
What are the key properties of N-[2-(ethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide?
N-[2-(ethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide has a molecular weight of 390.45 g/mol, XLogP of 2.20, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-4-[[5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzamide is sourced from PubChem (CID 24857007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).