[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone

C17H22N6O — CID 97390278

IUPAC[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCn2cc(CN3CCCCC3)nc2C1
InChIInChI=1S/C17H22N6O/c24-17(14-4-5-18-19-10-14)23-9-8-22-12-15(20-16(22)13-23)11-21-6-2-1-3-7-21/h4-5,10,12H,1-3,6-9,11,13H2
InChIKeyRTILBZDEOPNMCL-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.32
Rot. Bonds3

About [2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone

[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone (PubChem CID 97390278) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is [2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone
PubChem CID97390278
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCn2cc(CN3CCCCC3)nc2C1
InChIInChI=1S/C17H22N6O/c24-17(14-4-5-18-19-10-14)23-9-8-22-12-15(20-16(22)13-23)11-21-6-2-1-3-7-21/h4-5,10,12H,1-3,6-9,11,13H2
InChIKeyRTILBZDEOPNMCL-UHFFFAOYSA-N
XLogP1.32
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone (CID 97390278) is [2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone is O=C(c1ccnnc1)N1CCn2cc(CN3CCCCC3)nc2C1.
What is the InChIKey of [2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone?
The InChIKey is RTILBZDEOPNMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c24-17(14-4-5-18-19-10-14)23-9-8-22-12-15(20-16(22)13-23)11-21-6-2-1-3-7-21/h4-5,10,12H,1-3,6-9,11,13H2.
What are the key properties of [2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone?
[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone has a molecular weight of 326.40 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 97390278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).