1-(6-aminopyridine-3-carbonyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione

C18H24N6O3 — CID 171564325

IUPAC1-(6-aminopyridine-3-carbonyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione
SMILESNc1ccc(C(=O)N2CC(=O)N3CC(=O)N(CC4CCNCC4)CC32)cn1
InChIInChI=1S/C18H24N6O3/c19-14-2-1-13(7-21-14)18(27)24-11-17(26)23-10-16(25)22(9-15(23)24)8-12-3-5-20-6-4-12/h1-2,7,12,15,20H,3-6,8-11H2,(H2,19,21)
InChIKeyMTYFCGDFEHURPK-UHFFFAOYSA-N
MW372.43 g/mol
LogP-0.88
Rot. Bonds3

About 1-(6-aminopyridine-3-carbonyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione

1-(6-aminopyridine-3-carbonyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione (PubChem CID 171564325) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-(6-aminopyridine-3-carbonyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione.

Molecular Properties

Compound Name1-(6-aminopyridine-3-carbonyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione
PubChem CID171564325
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name1-(6-aminopyridine-3-carbonyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione
SMILESNc1ccc(C(=O)N2CC(=O)N3CC(=O)N(CC4CCNCC4)CC32)cn1
InChIInChI=1S/C18H24N6O3/c19-14-2-1-13(7-21-14)18(27)24-11-17(26)23-10-16(25)22(9-15(23)24)8-12-3-5-20-6-4-12/h1-2,7,12,15,20H,3-6,8-11H2,(H2,19,21)
InChIKeyMTYFCGDFEHURPK-UHFFFAOYSA-N
XLogP-0.88
TPSA111.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3,6-dioxo-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazin-1-yl]-3-(1,3-oxazol-2-yl)urea
CID 171564377
(6-amino-3-pyridinyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112628622
(6-amino-3-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone
CID 62151940
(6-amino-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83221125
(6-amino-3-pyridinyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81212789
butane;2-methylpropane;1-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione
CID 171564355
1-(furan-2-carbonyl)-2-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione
CID 171564361
(6-amino-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62151239
(6-amino-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 141132994
(1S,4S)-5-(6-aminopyridine-3-carbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid
CID 154371128
4-(6-aminopyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 62152009
4-(6-aminopyridine-3-carbonyl)piperazine-1-carboxylic acid
CID 86641079

Frequently Asked Questions

What is the IUPAC name of 1-(6-aminopyridine-3-carbonyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione?
The IUPAC name of 1-(6-aminopyridine-3-carbonyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione (CID 171564325) is 1-(6-aminopyridine-3-carbonyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione.
What is the SMILES notation for 1-(6-aminopyridine-3-carbonyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione?
The canonical SMILES for 1-(6-aminopyridine-3-carbonyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione is Nc1ccc(C(=O)N2CC(=O)N3CC(=O)N(CC4CCNCC4)CC32)cn1.
What is the InChIKey of 1-(6-aminopyridine-3-carbonyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione?
The InChIKey is MTYFCGDFEHURPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c19-14-2-1-13(7-21-14)18(27)24-11-17(26)23-10-16(25)22(9-15(23)24)8-12-3-5-20-6-4-12/h1-2,7,12,15,20H,3-6,8-11H2,(H2,19,21).
What are the key properties of 1-(6-aminopyridine-3-carbonyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione?
1-(6-aminopyridine-3-carbonyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione has a molecular weight of 372.43 g/mol, XLogP of -0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminopyridine-3-carbonyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione is sourced from PubChem (CID 171564325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).