N-ethyl-N-[[7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine

C18H25FN4 — CID 131658527

IUPACN-ethyl-N-[[7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine
SMILESCCN(CC)CC1CN(Cc2ccccc2F)Cc2cncn21
InChIInChI=1S/C18H25FN4/c1-3-21(4-2)12-17-13-22(11-16-9-20-14-23(16)17)10-15-7-5-6-8-18(15)19/h5-9,14,17H,3-4,10-13H2,1-2H3
InChIKeyNRADCNXIYHGKFP-UHFFFAOYSA-N
MW316.42 g/mol
LogP2.92
Rot. Bonds6

About N-ethyl-N-[[7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine

N-ethyl-N-[[7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine (PubChem CID 131658527) has the molecular formula C18H25FN4 and a molecular weight of 316.42 g/mol. Its IUPAC name is N-ethyl-N-[[7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine
PubChem CID131658527
Molecular FormulaC18H25FN4
Molecular Weight316.42 g/mol
Exact Mass316.21
IUPAC NameN-ethyl-N-[[7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine
SMILESCCN(CC)CC1CN(Cc2ccccc2F)Cc2cncn21
InChIInChI=1S/C18H25FN4/c1-3-21(4-2)12-17-13-22(11-16-9-20-14-23(16)17)10-15-7-5-6-8-18(15)19/h5-9,14,17H,3-4,10-13H2,1-2H3
InChIKeyNRADCNXIYHGKFP-UHFFFAOYSA-N
XLogP2.92
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5S)-5-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone
CID 124824224
1-[5-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
CID 131661826
7-[(2-methoxyphenyl)methyl]-5-(oxan-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 131643028
(5S)-7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 124798405
(6R)-8-[(2-fluorophenyl)methyl]-6-(pyridin-3-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 97487643
(5S)-5-(cyclopentylmethoxymethyl)-7-[(2-methoxy-3-pyridinyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 124797839
N,N-diethyl-2-[(5R)-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]ethanamine
CID 124824476
3,4-diethyl-1-[(2-fluorophenyl)methyl]pyrrolidine
CID 166944800
(3,3-difluoroazetidin-1-yl)-[7-[(2-methoxyphenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methanone
CID 131663485
7-(1H-indol-4-ylmethyl)-5-(methoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155860016
N,N-dimethyl-1-(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methanamine
CID 131659176
1-[7-(diethylaminomethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-(2-fluorophenyl)ethanone
CID 131642486

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine (CID 131658527) is N-ethyl-N-[[7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine is CCN(CC)CC1CN(Cc2ccccc2F)Cc2cncn21.
What is the InChIKey of N-ethyl-N-[[7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine?
The InChIKey is NRADCNXIYHGKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4/c1-3-21(4-2)12-17-13-22(11-16-9-20-14-23(16)17)10-15-7-5-6-8-18(15)19/h5-9,14,17H,3-4,10-13H2,1-2H3.
What are the key properties of N-ethyl-N-[[7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine?
N-ethyl-N-[[7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine has a molecular weight of 316.42 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[7-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]ethanamine is sourced from PubChem (CID 131658527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).