2-cyclopropyl-4-[8-(2-pyridin-2-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

C23H22N6O — CID 67975735

IUPAC2-cyclopropyl-4-[8-(2-pyridin-2-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc3c(NCCc4ccccn4)nccn23)cc1C1CC1
InChIInChI=1S/C23H22N6O/c24-21(30)18-7-6-16(13-19(18)15-4-5-15)20-14-28-23-22(27-11-12-29(20)23)26-10-8-17-3-1-2-9-25-17/h1-3,6-7,9,11-15H,4-5,8,10H2,(H2,24,30)(H,26,27)
InChIKeyUSQZSKUFTHMHOA-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.42
Rot. Bonds7

About 2-cyclopropyl-4-[8-(2-pyridin-2-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide

2-cyclopropyl-4-[8-(2-pyridin-2-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 67975735) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-cyclopropyl-4-[8-(2-pyridin-2-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound Name2-cyclopropyl-4-[8-(2-pyridin-2-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID67975735
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name2-cyclopropyl-4-[8-(2-pyridin-2-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc3c(NCCc4ccccn4)nccn23)cc1C1CC1
InChIInChI=1S/C23H22N6O/c24-21(30)18-7-6-16(13-19(18)15-4-5-15)20-14-28-23-22(27-11-12-29(20)23)26-10-8-17-3-1-2-9-25-17/h1-3,6-7,9,11-15H,4-5,8,10H2,(H2,24,30)(H,26,27)
InChIKeyUSQZSKUFTHMHOA-UHFFFAOYSA-N
XLogP3.42
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[8-(2-pyridin-2-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of 2-cyclopropyl-4-[8-(2-pyridin-2-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide (CID 67975735) is 2-cyclopropyl-4-[8-(2-pyridin-2-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for 2-cyclopropyl-4-[8-(2-pyridin-2-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for 2-cyclopropyl-4-[8-(2-pyridin-2-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is NC(=O)c1ccc(-c2cnc3c(NCCc4ccccn4)nccn23)cc1C1CC1.
What is the InChIKey of 2-cyclopropyl-4-[8-(2-pyridin-2-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is USQZSKUFTHMHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c24-21(30)18-7-6-16(13-19(18)15-4-5-15)20-14-28-23-22(27-11-12-29(20)23)26-10-8-17-3-1-2-9-25-17/h1-3,6-7,9,11-15H,4-5,8,10H2,(H2,24,30)(H,26,27).
What are the key properties of 2-cyclopropyl-4-[8-(2-pyridin-2-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide?
2-cyclopropyl-4-[8-(2-pyridin-2-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 398.47 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[8-(2-pyridin-2-ylethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 67975735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).