3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one

C21H25N5O2 — CID 53039915

IUPAC3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one
SMILESCOc1ccc(-c2nc3cnccn3c2NCCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H25N5O2/c1-28-17-7-5-16(6-8-17)20-21(26-14-11-22-15-18(26)24-20)23-10-9-19(27)25-12-3-2-4-13-25/h5-8,11,14-15,23H,2-4,9-10,12-13H2,1H3
InChIKeyVZABVDWALNSQRF-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.22
Rot. Bonds6

About 3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one

3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 53039915) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one
PubChem CID53039915
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one
SMILESCOc1ccc(-c2nc3cnccn3c2NCCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H25N5O2/c1-28-17-7-5-16(6-8-17)20-21(26-14-11-22-15-18(26)24-20)23-10-9-19(27)25-12-3-2-4-13-25/h5-8,11,14-15,23H,2-4,9-10,12-13H2,1H3
InChIKeyVZABVDWALNSQRF-UHFFFAOYSA-N
XLogP3.22
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one (CID 53039915) is 3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one is COc1ccc(-c2nc3cnccn3c2NCCC(=O)N2CCCCC2)cc1.
What is the InChIKey of 3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is VZABVDWALNSQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-28-17-7-5-16(6-8-17)20-21(26-14-11-22-15-18(26)24-20)23-10-9-19(27)25-12-3-2-4-13-25/h5-8,11,14-15,23H,2-4,9-10,12-13H2,1H3.
What are the key properties of 3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one?
3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 379.46 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 53039915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).