3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one

C21H25N5O — CID 53039884

IUPAC3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one
SMILESCc1ccccc1-c1nc2cnccn2c1NCCC(=O)N1CCCCC1
InChIInChI=1S/C21H25N5O/c1-16-7-3-4-8-17(16)20-21(26-14-11-22-15-18(26)24-20)23-10-9-19(27)25-12-5-2-6-13-25/h3-4,7-8,11,14-15,23H,2,5-6,9-10,12-13H2,1H3
InChIKeyKBVFWKICKUFXGQ-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.52
Rot. Bonds5

About 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one

3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 53039884) has the molecular formula C21H25N5O and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one
PubChem CID53039884
Molecular FormulaC21H25N5O
Molecular Weight363.46 g/mol
Exact Mass363.21
IUPAC Name3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one
SMILESCc1ccccc1-c1nc2cnccn2c1NCCC(=O)N1CCCCC1
InChIInChI=1S/C21H25N5O/c1-16-7-3-4-8-17(16)20-21(26-14-11-22-15-18(26)24-20)23-10-9-19(27)25-12-5-2-6-13-25/h3-4,7-8,11,14-15,23H,2,5-6,9-10,12-13H2,1H3
InChIKeyKBVFWKICKUFXGQ-UHFFFAOYSA-N
XLogP3.52
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one (CID 53039884) is 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one is Cc1ccccc1-c1nc2cnccn2c1NCCC(=O)N1CCCCC1.
What is the InChIKey of 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is KBVFWKICKUFXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-16-7-3-4-8-17(16)20-21(26-14-11-22-15-18(26)24-20)23-10-9-19(27)25-12-5-2-6-13-25/h3-4,7-8,11,14-15,23H,2,5-6,9-10,12-13H2,1H3.
What are the key properties of 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one?
3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 363.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 53039884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).