N-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine

C17H26N4S — CID 97384396

IUPACN-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine
SMILESCc1ccc(CN2CCn3c(CN(C)C(C)C)cnc3C2)s1
InChIInChI=1S/C17H26N4S/c1-13(2)19(4)10-15-9-18-17-12-20(7-8-21(15)17)11-16-6-5-14(3)22-16/h5-6,9,13H,7-8,10-12H2,1-4H3
InChIKeyQJDMXQQQHBZWBB-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.11
Rot. Bonds5

About N-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine

N-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine (PubChem CID 97384396) has the molecular formula C17H26N4S and a molecular weight of 318.49 g/mol. Its IUPAC name is N-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine
PubChem CID97384396
Molecular FormulaC17H26N4S
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC NameN-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine
SMILESCc1ccc(CN2CCn3c(CN(C)C(C)C)cnc3C2)s1
InChIInChI=1S/C17H26N4S/c1-13(2)19(4)10-15-9-18-17-12-20(7-8-21(15)17)11-16-6-5-14(3)22-16/h5-6,9,13H,7-8,10-12H2,1-4H3
InChIKeyQJDMXQQQHBZWBB-UHFFFAOYSA-N
XLogP3.11
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine (CID 97384396) is N-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine is Cc1ccc(CN2CCn3c(CN(C)C(C)C)cnc3C2)s1.
What is the InChIKey of N-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine?
The InChIKey is QJDMXQQQHBZWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4S/c1-13(2)19(4)10-15-9-18-17-12-20(7-8-21(15)17)11-16-6-5-14(3)22-16/h5-6,9,13H,7-8,10-12H2,1-4H3.
What are the key properties of N-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine?
N-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine has a molecular weight of 318.49 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 97384396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).