N-[[(8R)-7-[(4-fluorophenyl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine

C19H27FN4 — CID 97384514

IUPACN-[[(8R)-7-[(4-fluorophenyl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)Cc1cnc2n1CCN(Cc1ccc(F)cc1)[C@@H]2C
InChIInChI=1S/C19H27FN4/c1-14(2)22(4)13-18-11-21-19-15(3)23(9-10-24(18)19)12-16-5-7-17(20)8-6-16/h5-8,11,14-15H,9-10,12-13H2,1-4H3/t15-/m1/s1
InChIKeySSGDQXGGAPFGCC-OAHLLOKOSA-N
MW330.45 g/mol
LogP3.44
Rot. Bonds5

About N-[[(8R)-7-[(4-fluorophenyl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine

N-[[(8R)-7-[(4-fluorophenyl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine (PubChem CID 97384514) has the molecular formula C19H27FN4 and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[[(8R)-7-[(4-fluorophenyl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[(8R)-7-[(4-fluorophenyl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine
PubChem CID97384514
Molecular FormulaC19H27FN4
Molecular Weight330.45 g/mol
Exact Mass330.22
IUPAC NameN-[[(8R)-7-[(4-fluorophenyl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)Cc1cnc2n1CCN(Cc1ccc(F)cc1)[C@@H]2C
InChIInChI=1S/C19H27FN4/c1-14(2)22(4)13-18-11-21-19-15(3)23(9-10-24(18)19)12-16-5-7-17(20)8-6-16/h5-8,11,14-15H,9-10,12-13H2,1-4H3/t15-/m1/s1
InChIKeySSGDQXGGAPFGCC-OAHLLOKOSA-N
XLogP3.44
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(8R)-7-[(4-fluorophenyl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[[(8R)-7-[(4-fluorophenyl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine (CID 97384514) is N-[[(8R)-7-[(4-fluorophenyl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[[(8R)-7-[(4-fluorophenyl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[[(8R)-7-[(4-fluorophenyl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine is CC(C)N(C)Cc1cnc2n1CCN(Cc1ccc(F)cc1)[C@@H]2C.
What is the InChIKey of N-[[(8R)-7-[(4-fluorophenyl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine?
The InChIKey is SSGDQXGGAPFGCC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27FN4/c1-14(2)22(4)13-18-11-21-19-15(3)23(9-10-24(18)19)12-16-5-7-17(20)8-6-16/h5-8,11,14-15H,9-10,12-13H2,1-4H3/t15-/m1/s1.
What are the key properties of N-[[(8R)-7-[(4-fluorophenyl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine?
N-[[(8R)-7-[(4-fluorophenyl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine has a molecular weight of 330.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(8R)-7-[(4-fluorophenyl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 97384514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).