1-(4-fluorophenyl)-2-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)-2-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]ethenamine

C22H22FN5O — CID 174014070

IUPAC1-(4-fluorophenyl)-2-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)-2-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]ethenamine
SMILESCN1CCN=C(C(=C(N)c2ccc(F)cc2)c2ccnc(Cc3ncco3)c2)C1
InChIInChI=1S/C22H22FN5O/c1-28-10-8-26-19(14-28)21(22(24)15-2-4-17(23)5-3-15)16-6-7-25-18(12-16)13-20-27-9-11-29-20/h2-7,9,11-12H,8,10,13-14,24H2,1H3
InChIKeyQWZNAOTWVRIMMF-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.01
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)-2-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]ethenamine

1-(4-fluorophenyl)-2-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)-2-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]ethenamine (PubChem CID 174014070) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)-2-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]ethenamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)-2-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]ethenamine
PubChem CID174014070
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC Name1-(4-fluorophenyl)-2-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)-2-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]ethenamine
SMILESCN1CCN=C(C(=C(N)c2ccc(F)cc2)c2ccnc(Cc3ncco3)c2)C1
InChIInChI=1S/C22H22FN5O/c1-28-10-8-26-19(14-28)21(22(24)15-2-4-17(23)5-3-15)16-6-7-25-18(12-16)13-20-27-9-11-29-20/h2-7,9,11-12H,8,10,13-14,24H2,1H3
InChIKeyQWZNAOTWVRIMMF-UHFFFAOYSA-N
XLogP3.01
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)-2-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]ethenamine?
The IUPAC name of 1-(4-fluorophenyl)-2-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)-2-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]ethenamine (CID 174014070) is 1-(4-fluorophenyl)-2-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)-2-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]ethenamine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)-2-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]ethenamine?
The canonical SMILES for 1-(4-fluorophenyl)-2-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)-2-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]ethenamine is CN1CCN=C(C(=C(N)c2ccc(F)cc2)c2ccnc(Cc3ncco3)c2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)-2-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]ethenamine?
The InChIKey is QWZNAOTWVRIMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c1-28-10-8-26-19(14-28)21(22(24)15-2-4-17(23)5-3-15)16-6-7-25-18(12-16)13-20-27-9-11-29-20/h2-7,9,11-12H,8,10,13-14,24H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)-2-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]ethenamine?
1-(4-fluorophenyl)-2-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)-2-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]ethenamine has a molecular weight of 391.45 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(4-methyl-3,5-dihydro-2H-pyrazin-6-yl)-2-[2-(1,3-oxazol-2-ylmethyl)-4-pyridinyl]ethenamine is sourced from PubChem (CID 174014070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).