(5-methyl-1,2-oxazol-3-yl)-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

C17H24N6O2 — CID 97467457

IUPAC(5-methyl-1,2-oxazol-3-yl)-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCc1cc(C(=O)N2CCn3cc(CN4CCN(C)CC4)nc3C2)no1
InChIInChI=1S/C17H24N6O2/c1-13-9-15(19-25-13)17(24)23-8-7-22-11-14(18-16(22)12-23)10-21-5-3-20(2)4-6-21/h9,11H,3-8,10,12H2,1-2H3
InChIKeyPGZHZHREBAKVQX-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.58
Rot. Bonds3

About (5-methyl-1,2-oxazol-3-yl)-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

(5-methyl-1,2-oxazol-3-yl)-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 97467457) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
PubChem CID97467457
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCc1cc(C(=O)N2CCn3cc(CN4CCN(C)CC4)nc3C2)no1
InChIInChI=1S/C17H24N6O2/c1-13-9-15(19-25-13)17(24)23-8-7-22-11-14(18-16(22)12-23)10-21-5-3-20(2)4-6-21/h9,11H,3-8,10,12H2,1-2H3
InChIKeyPGZHZHREBAKVQX-UHFFFAOYSA-N
XLogP0.58
TPSA70.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 97467457) is (5-methyl-1,2-oxazol-3-yl)-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is Cc1cc(C(=O)N2CCn3cc(CN4CCN(C)CC4)nc3C2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The InChIKey is PGZHZHREBAKVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-13-9-15(19-25-13)17(24)23-8-7-22-11-14(18-16(22)12-23)10-21-5-3-20(2)4-6-21/h9,11H,3-8,10,12H2,1-2H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
(5-methyl-1,2-oxazol-3-yl)-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 344.42 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 97467457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).