1-(furan-2-yl)-N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine

C18H22N4OS — CID 97467607

IUPAC1-(furan-2-yl)-N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine
SMILESCN(Cc1cn2c(n1)CN(Cc1ccsc1)CC2)Cc1ccco1
InChIInChI=1S/C18H22N4OS/c1-20(12-17-3-2-7-23-17)10-16-11-22-6-5-21(13-18(22)19-16)9-15-4-8-24-14-15/h2-4,7-8,11,14H,5-6,9-10,12-13H2,1H3
InChIKeyBOUQIEWNFNOMHP-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.19
Rot. Bonds6

About 1-(furan-2-yl)-N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine

1-(furan-2-yl)-N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine (PubChem CID 97467607) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine
PubChem CID97467607
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name1-(furan-2-yl)-N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine
SMILESCN(Cc1cn2c(n1)CN(Cc1ccsc1)CC2)Cc1ccco1
InChIInChI=1S/C18H22N4OS/c1-20(12-17-3-2-7-23-17)10-16-11-22-6-5-21(13-18(22)19-16)9-15-4-8-24-14-15/h2-4,7-8,11,14H,5-6,9-10,12-13H2,1H3
InChIKeyBOUQIEWNFNOMHP-UHFFFAOYSA-N
XLogP3.19
TPSA37.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine?
The IUPAC name of 1-(furan-2-yl)-N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine (CID 97467607) is 1-(furan-2-yl)-N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine?
The canonical SMILES for 1-(furan-2-yl)-N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine is CN(Cc1cn2c(n1)CN(Cc1ccsc1)CC2)Cc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine?
The InChIKey is BOUQIEWNFNOMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-20(12-17-3-2-7-23-17)10-16-11-22-6-5-21(13-18(22)19-16)9-15-4-8-24-14-15/h2-4,7-8,11,14H,5-6,9-10,12-13H2,1H3.
What are the key properties of 1-(furan-2-yl)-N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine?
1-(furan-2-yl)-N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine has a molecular weight of 342.47 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine is sourced from PubChem (CID 97467607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).