7-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C14H18N6O — CID 79096428

IUPAC7-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNCc1c(N2CCN3C(=O)NCC3C2)nc2ccccn12
InChIInChI=1S/C14H18N6O/c15-7-11-13(17-12-3-1-2-4-20(11)12)18-5-6-19-10(9-18)8-16-14(19)21/h1-4,10H,5-9,15H2,(H,16,21)
InChIKeyCNTHUVKFMZUTFD-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.01
Rot. Bonds2

About 7-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79096428) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 7-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79096428
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name7-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNCc1c(N2CCN3C(=O)NCC3C2)nc2ccccn12
InChIInChI=1S/C14H18N6O/c15-7-11-13(17-12-3-1-2-4-20(11)12)18-5-6-19-10(9-18)8-16-14(19)21/h1-4,10H,5-9,15H2,(H,16,21)
InChIKeyCNTHUVKFMZUTFD-UHFFFAOYSA-N
XLogP0.01
TPSA78.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79096428) is 7-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is NCc1c(N2CCN3C(=O)NCC3C2)nc2ccccn12.
What is the InChIKey of 7-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is CNTHUVKFMZUTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c15-7-11-13(17-12-3-1-2-4-20(11)12)18-5-6-19-10(9-18)8-16-14(19)21/h1-4,10H,5-9,15H2,(H,16,21).
What are the key properties of 7-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 286.34 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79096428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).