[2-[[furan-2-ylmethyl(methyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone

C18H21N5O2 — CID 97390344

IUPAC[2-[[furan-2-ylmethyl(methyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone
SMILESCN(Cc1cn2c(n1)CN(C(=O)c1ccc[nH]1)CC2)Cc1ccco1
InChIInChI=1S/C18H21N5O2/c1-21(12-15-4-3-9-25-15)10-14-11-22-7-8-23(13-17(22)20-14)18(24)16-5-2-6-19-16/h2-6,9,11,19H,7-8,10,12-13H2,1H3
InChIKeyWDLPGPXHKDGUAZ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.09
Rot. Bonds5

About [2-[[furan-2-ylmethyl(methyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone

[2-[[furan-2-ylmethyl(methyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 97390344) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is [2-[[furan-2-ylmethyl(methyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[2-[[furan-2-ylmethyl(methyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID97390344
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name[2-[[furan-2-ylmethyl(methyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone
SMILESCN(Cc1cn2c(n1)CN(C(=O)c1ccc[nH]1)CC2)Cc1ccco1
InChIInChI=1S/C18H21N5O2/c1-21(12-15-4-3-9-25-15)10-14-11-22-7-8-23(13-17(22)20-14)18(24)16-5-2-6-19-16/h2-6,9,11,19H,7-8,10,12-13H2,1H3
InChIKeyWDLPGPXHKDGUAZ-UHFFFAOYSA-N
XLogP2.09
TPSA70.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[furan-2-ylmethyl(methyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [2-[[furan-2-ylmethyl(methyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone (CID 97390344) is [2-[[furan-2-ylmethyl(methyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [2-[[furan-2-ylmethyl(methyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [2-[[furan-2-ylmethyl(methyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone is CN(Cc1cn2c(n1)CN(C(=O)c1ccc[nH]1)CC2)Cc1ccco1.
What is the InChIKey of [2-[[furan-2-ylmethyl(methyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is WDLPGPXHKDGUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-21(12-15-4-3-9-25-15)10-14-11-22-7-8-23(13-17(22)20-14)18(24)16-5-2-6-19-16/h2-6,9,11,19H,7-8,10,12-13H2,1H3.
What are the key properties of [2-[[furan-2-ylmethyl(methyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone?
[2-[[furan-2-ylmethyl(methyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 339.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[furan-2-ylmethyl(methyl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 97390344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).