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

C16H21FN4 — CID 114831379

IUPAC2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine
SMILESCC(CN)(Cc1cccc(F)c1)N1CCn2ccnc2C1
InChIInChI=1S/C16H21FN4/c1-16(12-18,10-13-3-2-4-14(17)9-13)21-8-7-20-6-5-19-15(20)11-21/h2-6,9H,7-8,10-12,18H2,1H3
InChIKeyNIAQDGNVRQSAKD-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.80
Rot. Bonds4

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

2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine (PubChem CID 114831379) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine
PubChem CID114831379
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine
SMILESCC(CN)(Cc1cccc(F)c1)N1CCn2ccnc2C1
InChIInChI=1S/C16H21FN4/c1-16(12-18,10-13-3-2-4-14(17)9-13)21-8-7-20-6-5-19-15(20)11-21/h2-6,9H,7-8,10-12,18H2,1H3
InChIKeyNIAQDGNVRQSAKD-UHFFFAOYSA-N
XLogP1.80
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,3-dimethylpiperidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine
CID 114831451
3-(3-fluorophenyl)-2-methyl-2-(1,4-thiazepan-4-yl)propan-1-amine
CID 114831170
2-(2,3-dimethylthiomorpholin-4-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine
CID 114831741
N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-fluoroaniline
CID 55143465
2-(2-ethylpyrrolidin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine
CID 114831157
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 63013557
1-(3-fluorophenyl)-2-quinolin-8-ylpropan-2-amine
CID 114833985
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
7-[(3-bromophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 55134729
3-(3-amino-2-methyl-2-piperazin-1-ylpropyl)phenol
CID 84752324
3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 114831216
2-(1-benzofuran-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine
CID 63898851

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine?
The IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine (CID 114831379) is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine is CC(CN)(Cc1cccc(F)c1)N1CCn2ccnc2C1.
What is the InChIKey of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine?
The InChIKey is NIAQDGNVRQSAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-16(12-18,10-13-3-2-4-14(17)9-13)21-8-7-20-6-5-19-15(20)11-21/h2-6,9H,7-8,10-12,18H2,1H3.
What are the key properties of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine?
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine has a molecular weight of 288.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(3-fluorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 114831379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).