1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone

C18H25N5O — CID 97467329

IUPAC1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone
SMILESCCN(CC)Cc1cn2c(n1)CN(C(=O)Cc1ccccn1)CC2
InChIInChI=1S/C18H25N5O/c1-3-21(4-2)12-16-13-22-9-10-23(14-17(22)20-16)18(24)11-15-7-5-6-8-19-15/h5-8,13H,3-4,9-12,14H2,1-2H3
InChIKeyVMXIIDDRAGXTDI-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.70
Rot. Bonds6

About 1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone

1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone (PubChem CID 97467329) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone
PubChem CID97467329
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone
SMILESCCN(CC)Cc1cn2c(n1)CN(C(=O)Cc1ccccn1)CC2
InChIInChI=1S/C18H25N5O/c1-3-21(4-2)12-16-13-22-9-10-23(14-17(22)20-16)18(24)11-15-7-5-6-8-19-15/h5-8,13H,3-4,9-12,14H2,1-2H3
InChIKeyVMXIIDDRAGXTDI-UHFFFAOYSA-N
XLogP1.70
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone (CID 97467329) is 1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone is CCN(CC)Cc1cn2c(n1)CN(C(=O)Cc1ccccn1)CC2.
What is the InChIKey of 1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone?
The InChIKey is VMXIIDDRAGXTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-3-21(4-2)12-16-13-22-9-10-23(14-17(22)20-16)18(24)11-15-7-5-6-8-19-15/h5-8,13H,3-4,9-12,14H2,1-2H3.
What are the key properties of 1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone?
1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone has a molecular weight of 327.43 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 97467329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).