7-[(4-methoxyphenyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C18H21N5O — CID 97382088

IUPAC7-[(4-methoxyphenyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCOc1ccc(CN2CCn3cc(Cn4cccn4)nc3C2)cc1
InChIInChI=1S/C18H21N5O/c1-24-17-5-3-15(4-6-17)11-21-9-10-22-12-16(20-18(22)14-21)13-23-8-2-7-19-23/h2-8,12H,9-11,13-14H2,1H3
InChIKeyOXOUJWWWICEVFQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.15
Rot. Bonds5

About 7-[(4-methoxyphenyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-[(4-methoxyphenyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 97382088) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID97382088
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name7-[(4-methoxyphenyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCOc1ccc(CN2CCn3cc(Cn4cccn4)nc3C2)cc1
InChIInChI=1S/C18H21N5O/c1-24-17-5-3-15(4-6-17)11-21-9-10-22-12-16(20-18(22)14-21)13-23-8-2-7-19-23/h2-8,12H,9-11,13-14H2,1H3
InChIKeyOXOUJWWWICEVFQ-UHFFFAOYSA-N
XLogP2.15
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-[(4-methoxyphenyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 97382088) is 7-[(4-methoxyphenyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-[(4-methoxyphenyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-[(4-methoxyphenyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is COc1ccc(CN2CCn3cc(Cn4cccn4)nc3C2)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is OXOUJWWWICEVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-24-17-5-3-15(4-6-17)11-21-9-10-22-12-16(20-18(22)14-21)13-23-8-2-7-19-23/h2-8,12H,9-11,13-14H2,1H3.
What are the key properties of 7-[(4-methoxyphenyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-[(4-methoxyphenyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 323.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyphenyl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 97382088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).