3-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-fluorophenyl]prop-2-yn-1-amine

C16H17FN4 — CID 63026444

IUPAC3-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-fluorophenyl]prop-2-yn-1-amine
SMILESNCC#Cc1ccc(CN2CCn3ccnc3C2)c(F)c1
InChIInChI=1S/C16H17FN4/c17-15-10-13(2-1-5-18)3-4-14(15)11-20-8-9-21-7-6-19-16(21)12-20/h3-4,6-7,10H,5,8-9,11-12,18H2
InChIKeyYCKTVLARRHVSJJ-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.35
Rot. Bonds2

About 3-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-fluorophenyl]prop-2-yn-1-amine

3-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-fluorophenyl]prop-2-yn-1-amine (PubChem CID 63026444) has the molecular formula C16H17FN4 and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-fluorophenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-fluorophenyl]prop-2-yn-1-amine
PubChem CID63026444
Molecular FormulaC16H17FN4
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name3-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-fluorophenyl]prop-2-yn-1-amine
SMILESNCC#Cc1ccc(CN2CCn3ccnc3C2)c(F)c1
InChIInChI=1S/C16H17FN4/c17-15-10-13(2-1-5-18)3-4-14(15)11-20-8-9-21-7-6-19-16(21)12-20/h3-4,6-7,10H,5,8-9,11-12,18H2
InChIKeyYCKTVLARRHVSJJ-UHFFFAOYSA-N
XLogP1.35
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-fluorophenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-fluorophenyl]prop-2-yn-1-amine (CID 63026444) is 3-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-fluorophenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-fluorophenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-fluorophenyl]prop-2-yn-1-amine is NCC#Cc1ccc(CN2CCn3ccnc3C2)c(F)c1.
What is the InChIKey of 3-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-fluorophenyl]prop-2-yn-1-amine?
The InChIKey is YCKTVLARRHVSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4/c17-15-10-13(2-1-5-18)3-4-14(15)11-20-8-9-21-7-6-19-16(21)12-20/h3-4,6-7,10H,5,8-9,11-12,18H2.
What are the key properties of 3-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-fluorophenyl]prop-2-yn-1-amine?
3-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-fluorophenyl]prop-2-yn-1-amine has a molecular weight of 284.34 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-fluorophenyl]prop-2-yn-1-amine is sourced from PubChem (CID 63026444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).