7-[(4-methoxyphenyl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C18H21N5O — CID 97384428

IUPAC7-[(4-methoxyphenyl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCOc1ccc(CN2CCn3c(Cn4cccn4)cnc3C2)cc1
InChIInChI=1S/C18H21N5O/c1-24-17-5-3-15(4-6-17)12-21-9-10-23-16(11-19-18(23)14-21)13-22-8-2-7-20-22/h2-8,11H,9-10,12-14H2,1H3
InChIKeyTZRMKMTWNMQGOV-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.15
Rot. Bonds5

About 7-[(4-methoxyphenyl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-[(4-methoxyphenyl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 97384428) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID97384428
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name7-[(4-methoxyphenyl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCOc1ccc(CN2CCn3c(Cn4cccn4)cnc3C2)cc1
InChIInChI=1S/C18H21N5O/c1-24-17-5-3-15(4-6-17)12-21-9-10-23-16(11-19-18(23)14-21)13-22-8-2-7-20-22/h2-8,11H,9-10,12-14H2,1H3
InChIKeyTZRMKMTWNMQGOV-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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Related Compounds

N-[[7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 97384488
7-(cyclopropylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97384441
7-(cyclohexylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97471177
7-[(2-methoxy-3-pyridinyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97471195
7-(benzenesulfonyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97471163
(1-methylpyrrol-2-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97384435
7-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 163356134
1-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
CID 97471170
1-[2-(4-methoxyphenoxy)ethyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine
CID 30746046
N-[[7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine
CID 97471121
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-[(4-methoxyphenyl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 97384428) is 7-[(4-methoxyphenyl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-[(4-methoxyphenyl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-[(4-methoxyphenyl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is COc1ccc(CN2CCn3c(Cn4cccn4)cnc3C2)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is TZRMKMTWNMQGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-24-17-5-3-15(4-6-17)12-21-9-10-23-16(11-19-18(23)14-21)13-22-8-2-7-20-22/h2-8,11H,9-10,12-14H2,1H3.
What are the key properties of 7-[(4-methoxyphenyl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-[(4-methoxyphenyl)methyl]-3-(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]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 97384428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).