1-(azepan-1-yl)-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one

C16H23N5O — CID 53039688

IUPAC1-(azepan-1-yl)-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one
SMILESCc1nc2cnccn2c1NCCC(=O)N1CCCCCC1
InChIInChI=1S/C16H23N5O/c1-13-16(21-11-8-17-12-14(21)19-13)18-7-6-15(22)20-9-4-2-3-5-10-20/h8,11-12,18H,2-7,9-10H2,1H3
InChIKeyNLEJFPYNGLLLJN-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.24
Rot. Bonds4

About 1-(azepan-1-yl)-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one

1-(azepan-1-yl)-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one (PubChem CID 53039688) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(azepan-1-yl)-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(azepan-1-yl)-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one
PubChem CID53039688
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name1-(azepan-1-yl)-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one
SMILESCc1nc2cnccn2c1NCCC(=O)N1CCCCCC1
InChIInChI=1S/C16H23N5O/c1-13-16(21-11-8-17-12-14(21)19-13)18-7-6-15(22)20-9-4-2-3-5-10-20/h8,11-12,18H,2-7,9-10H2,1H3
InChIKeyNLEJFPYNGLLLJN-UHFFFAOYSA-N
XLogP2.24
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one?
The IUPAC name of 1-(azepan-1-yl)-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one (CID 53039688) is 1-(azepan-1-yl)-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one.
What is the SMILES notation for 1-(azepan-1-yl)-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one?
The canonical SMILES for 1-(azepan-1-yl)-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one is Cc1nc2cnccn2c1NCCC(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one?
The InChIKey is NLEJFPYNGLLLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-13-16(21-11-8-17-12-14(21)19-13)18-7-6-15(22)20-9-4-2-3-5-10-20/h8,11-12,18H,2-7,9-10H2,1H3.
What are the key properties of 1-(azepan-1-yl)-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one?
1-(azepan-1-yl)-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one has a molecular weight of 301.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-3-[(2-methylimidazo[1,2-a]pyrazin-3-yl)amino]propan-1-one is sourced from PubChem (CID 53039688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).