7-(6-methoxypyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C17H25N7O — CID 97390283

IUPAC7-(6-methoxypyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCOc1cc(N2CCn3cc(CN4CCN(C)CC4)nc3C2)ncn1
InChIInChI=1S/C17H25N7O/c1-21-3-5-22(6-4-21)10-14-11-23-7-8-24(12-16(23)20-14)15-9-17(25-2)19-13-18-15/h9,11,13H,3-8,10,12H2,1-2H3
InChIKeyOADGJYJTCZKTOS-UHFFFAOYSA-N
MW343.44 g/mol
LogP0.45
Rot. Bonds4

About 7-(6-methoxypyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-(6-methoxypyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 97390283) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 7-(6-methoxypyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-(6-methoxypyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID97390283
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name7-(6-methoxypyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCOc1cc(N2CCn3cc(CN4CCN(C)CC4)nc3C2)ncn1
InChIInChI=1S/C17H25N7O/c1-21-3-5-22(6-4-21)10-14-11-23-7-8-24(12-16(23)20-14)15-9-17(25-2)19-13-18-15/h9,11,13H,3-8,10,12H2,1-2H3
InChIKeyOADGJYJTCZKTOS-UHFFFAOYSA-N
XLogP0.45
TPSA62.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxypyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-(6-methoxypyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 97390283) is 7-(6-methoxypyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-(6-methoxypyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-(6-methoxypyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is COc1cc(N2CCn3cc(CN4CCN(C)CC4)nc3C2)ncn1.
What is the InChIKey of 7-(6-methoxypyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is OADGJYJTCZKTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-21-3-5-22(6-4-21)10-14-11-23-7-8-24(12-16(23)20-14)15-9-17(25-2)19-13-18-15/h9,11,13H,3-8,10,12H2,1-2H3.
What are the key properties of 7-(6-methoxypyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-(6-methoxypyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 343.44 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxypyrimidin-4-yl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 97390283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).